Neocuproine

Neocuproine

SCHEMBL229136

Cc1ccc2ccc3ccc(C)nc3c2n1.O

nearest known ligand 0.94

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ABCC9ABL1ACEACHEACVR1ADORA1ADORA2AADORA2BADORA3ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3AGTR1ALOX5ATP4AATP4BBCRBTKCACNA1ACACNA1BCACNA1CCACNA1DCACNA1ECACNA1FCACNA1GCACNA1HCACNA1ICACNA1SCACNA2D1CACNA2D2CACNA2D3CACNA2D4CACNB1CACNB2CACNB3CACNB4CACNG1CACNG2CACNG3CACNG4CACNG5CACNG6CACNG7CACNG8CALCRLCFBCHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNB1CHRNDCHRNECHRNGCRBNCUL4ACXCR1CXCR2DDB1DDCDHFRDPP4DRD2DRD3DRD4EGFRERBB2ERBB4ESR1ESR2FDPSFKBP1AFLT1FLT3FLT4GARTGHSRGRIA1GRIA2GRIA3GRIA4GRIK1GRIK2GRIK3GRIK4GRIK5GRIN2AGSK3AGSK3BHDAC1HDAC10HDAC11HDAC2HDAC3HDAC4HDAC5HDAC6HDAC7HDAC8HDAC9HRH1HTR1AHTR1BHTR1DHTR1EHTR1FHTR2AHTR2BHTR2CHTR3AHTR3BHTR3CHTR3DHTR3EHTR4HTR5AHTR6HTR7IDH1IDH2IMPA1ITGA2BITGB3JAK1JAK2JAK3KCNJ11KCNK3KCNK9KDRKITMEN1METMMP1MMP13MMP7MMP8NANOD2NS5bODC1OPG057OPRD1OPRK1OPRM1PPARP1PARP2PDE3APDE3BPDE4APDE4BPDE4CPDE4DPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PKLRPPARDPPATPTGS1PTGS2RBX1ROCK1ROCK2RRM1RRM2RRM2BSCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASCNN1ASCNN1BSCNN1GSIGMAR1SLC10A2SLC5A2SLC6A2SLC6A3SLC6A4SLC9A3SYKTACR1THRATHRBTOP1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYK2TYMSVDRampCblablaT-3blaT-4blaT-5blaT-6blaUOE-1dacAdacBdacCfolAfolPftsIgyrAgyrBileSmecAmrcAmrcBmrdAparCparEpbp2pbp4pbpApbpFrplArplBrplCrplDrplErplFrplIrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmE2rpmFrpmGrpmG1rpmG2rpmG3rpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUthyAykgMykgO

The experimentally established mechanism targets of Neocuproine. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 known ✓ P09874 1/20 0.47
OPRK1 known ✓ P41145 1/20 0.43
MEN1 known ✓ O00255 4/20 0.39
AGTR1 known ✓ P30556 1/20 0.39
CCR1 P32246 2/20 0.94
RAB9A P51151 1/20 0.94
CCR5 P51681 1/20 0.94
METAP2 P50579 1/20 0.56
CYP1A2 P05177 3/20 0.46
GLO1 Q04760 2/20 0.44
KMT2A Q03164 5/20 0.43
KDM4E B2RXH2 1/20 0.39
LMNA P02545 1/20 0.39
POLB P06746 1/20 0.39
CASP6 P55212 1/20 0.39
CCR8 P51685 1/20 0.39
SLC40A1 Q9NP59 2/20 0.39
PAX8 Q06710 1/20 0.39
MAPT P10636 1/20 0.39
TDP1 Q9NUW8 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Neocuproine SCHEMBL31709522 1.00 CCR1 (0.94) CCR1RAB9ACCR5METAP2PARP1
Neocuproine SCHEMBL6082081 0.97 CCR1 (0.88) CCR1RAB9ACCR5METAP2PARP1
Neocuproine SCHEMBL30183159 0.97 CCR1 (0.88) CCR1RAB9ACCR5METAP2PARP1
Neocuproine SCHEMBL11672280 0.97 CCR1 (1.00) CCR1RAB9ACCR5METAP2PARP1
Neocuproine SCHEMBL29367091 0.97 CCR1 (1.00) CCR1RAB9ACCR5METAP2PARP1
Neocuproine SCHEMBL29639703 0.97 CCR1 (1.00) CCR1RAB9ACCR5METAP2PARP1
Neocuproine SCHEMBL124563 0.97 CCR1 (1.00) CCR1RAB9ACCR5METAP2PARP1
Neocuproine SCHEMBL5385744 0.94 CCR1 (0.94) CCR1RAB9ACCR5METAP2PARP1
Neocuproine SCHEMBL10373258 0.94 CCR1 (0.94) CCR1RAB9ACCR5METAP2PARP1
Neocuproine SCHEMBL1462062 0.94 CCR1 (0.94) CCR1RAB9ACCR5METAP2PARP1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 154 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111939987-B Photocatalytic CO2Photocatalytic material for preparing synthetic gas by reduction and method thereof 陕西师范大学 2021-11-02 CN claimed
CN-111939987-A Photocatalytic CO2Photocatalytic material for preparing synthetic gas by reduction and method thereof 陕西师范大学 2020-11-17 CN claimed
CN-104387407-A 6-methyl-6H-benzo[4, 5]thiophene[2, 3-b]indole and derivatives thereof as well as synthesis method of 6-methyl-6H-benzo[4, 5]thiophene[2, 3-b]indole and derivatives thereof UNIV XIANGTAN 2015-03-04 CN claimed
EP-0686617-B1 Method for making a 2,6-dialkylphenol GEN ELECTRIC (US) 1998-11-04 EP claimed
EP-0686617-A1 Method for making a 2,6-dialkylphenol GENERAL ELECTRIC COMPANY (US) 1995-12-13 EP claimed
US-5475156-A Method for making a 2,6-dialkylphenol GENERAL ELECTRIC COMPANY (US) 1995-12-12 US claimed
US-12600725-B2 Selective GRP94 inhibitors and uses thereof MEMORIAL SLOAN-KETTERING CANCER CENTER (US) 2026-04-14 US disclosed
US-20250327028-A1 ENGINEERED PLATELETS AS TARGETED PROTEIN DEGRADERS WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2025-10-23 US disclosed
US-12332246-B2 Quinoline based cyanine dye turn-on fluorescent probes and methods of use thereof YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) 2025-06-17 US disclosed
EP-3137898-B1 FLUORESCENT MOLECULAR SENSOR FOR TARGETING CHANGES IN PROTEIN SURFACES, AND METHODS OF USE THEREOF YEDA RES & DEV (IL) 2023-09-20 EP disclosed
US-20230192687-A1 FUSED AMINO PYRIDINE AS HSP90 INHIBITORS CURIS INC (US) 2023-06-22 US disclosed
US-11639929-B2 Universal histidine-tag binding compounds and methods of use thereof as fluorescent probes and sensors YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) 2023-05-02 US disclosed
US-20230123747-A1 SELECTIVE GRP94 INHIBITORS AND USES THEREOF MEMORIAL SLOAN KETTERING CANCER CENTER (US) 2023-04-20 US disclosed
WO-1996039144-A1 STABLE COPPER(I) COMPLEXES AS ACTIVE THERAPEUTIC SUBSTANCES PROCYTE CORPORATION (US) 1996-12-12 WO disclosed
EP-0720659-A1 NUCLEIC ACID DETECTION WITH ENERGY TRANSFER ZENECA LIMITED (GB) 1996-07-10 EP disclosed
EP-0701439-A1 STABLE COPPER(I) COMPLEXES AND METHODS RELATED THERETO PROCYTE CORPORATION (US) 1996-03-20 EP disclosed
EP-0686617-A1 Method for making a 2,6-dialkylphenol GENERAL ELECTRIC COMPANY (US) 1995-12-13 EP disclosed
US-5475156-A Method for making a 2,6-dialkylphenol GENERAL ELECTRIC COMPANY (US) 1995-12-12 US disclosed
WO-1995008642-A1 NUCLEIC ACID DETECTION WITH ENERGY TRANSFER ZENECA LIMITED (GB) 1995-03-30 WO disclosed
WO-1994027594-A2 STABLE COPPER(I) COMPLEXES AND METHODS RELATED THERETO PROCYTE CORPORATION (US) 1994-12-08 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-11639929-B2 Universal histidine-tag binding compounds and methods of use thereof as fluorescent probes and sensors HCLS1, PHF6, PHPT1 PARP1 4035/4885OPRK1 4646/4885MEN1 2073/4885
US-20230192687-A1 FUSED AMINO PYRIDINE AS HSP90 INHIBITORS HSP90B1, HSP90AB1, HSP90AB2P PARP1 2187/4885OPRK1 4597/4885MEN1 4305/4885
US-20250327028-A1 ENGINEERED PLATELETS AS TARGETED PROTEIN DEGRADERS HSP90B1, HSP90AB1, HSP90AA1 PARP1 2391/4885OPRK1 4547/4885MEN1 3003/4885
US-12600725-B2 Selective GRP94 inhibitors and uses thereof GRPR, HSPB1, HSP90AB2P PARP1 4739/4885OPRK1 180/4885MEN1 4288/4885
US-20230123747-A1 SELECTIVE GRP94 INHIBITORS AND USES THEREOF HSP90B1, HSP90AB2P, HSPE1 PARP1 4234/4885OPRK1 465/4885MEN1 4449/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.