SCHEMBL2448855

SCHEMBL2448855

CCCCN(C)c1[c]cccc1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.37
TDP1 Q9NUW8 1/20 0.36
OPRM1 P35372 1/20 0.36
OPRL1 P41146 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
KCNH2 Q12809 1/20 0.32
HTT P42858 1/20 0.32
SIGMAR1 Q99720 1/20 0.32
ESR1 P03372 1/20 0.32
ESR2 Q92731 1/20 0.32
PTPN11 Q06124 1/20 0.32
HTR7 P34969 1/20 0.31
GAA P10253 1/20 0.31
HPGD P15428 1/20 0.31

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
SCHEMBL8664336 0.95 DNM1 (0.38) MAPTOPRM1OPRL1KDM4EALDH1A1
SCHEMBL7771807 0.93 DNM1 (0.41) OPRM1ALDH1A1KCNH2SIGMAR1
SCHEMBL3452063 0.93 DNM1 (0.41) OPRM1ALDH1A1KCNH2SIGMAR1
SCHEMBL7770558 0.93 DNM1 (0.41) OPRM1ALDH1A1KCNH2SIGMAR1
SCHEMBL8670477 0.93 DNM1 (0.41) OPRM1ALDH1A1KCNH2SIGMAR1
SCHEMBL4722361 0.89 TP53 (0.33) KCNH2SIGMAR1
SCHEMBL2460591 0.83 TDP1 (0.37) MAPTTDP1OPRM1OPRL1KDM4E
SCHEMBL8667849 0.81 HTR2A (0.36) ALDH1A1MEN1KMT2AHTT
SCHEMBL700216 0.80
SCHEMBL2456294 0.80 MAPT (0.36) MAPTTDP1OPRM1OPRL1KDM4E

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8022072-B2 Azolylmethylidenehydrazine derivative and use thereof KAKEN PHARMACEUTICAL CO., LTD. (JP) 2011-09-20 US disclosed
US-20100190754-A1 AZOLYLMETHYLIDENEHYDRAZINE DERIVATIVE AND USE THEREOF KAKEN PHARMACEUTICAL CO., LTD. (JP) 2010-07-29 US disclosed
CN-101778828-A Azolylmethylenehydrazine derivatives and uses thereof KAKEN PHARMA CO LTD 2010-07-14 CN disclosed
EP-2168951-A1 AZOLYLMETHYLENEHYDRAZINE DERIVATIVE AND USE THEREOF KAKEN PHARMACEUTICAL CO., LTD. (JP) 2010-03-31 EP disclosed
US-20080176857-A1 4-Piperazinnylthieno[2,3-d]Pyrimidine Compounds as Platelet Aggregation Inhibitors PFIZER INC. 2008-07-24 US disclosed
EP-1874780-A1 4-PIPERAZINYLTHIENO[2,3-D]PYRIMIDINE COMPOUNDS AS PLATELET AGGREGATION INHIBITORS Pharmacia & Upjohn Company LLC (US) 2008-01-09 EP disclosed
WO-2006100591-A1 4-PIPERAZINNYLTHIENO [2,3-D] PYRIMIDINE COMPOUNDS AS PLATELET AGGREGATION INHIBITORS PHARMACIA & UPJOHN COMPANY LLC (US) 2006-09-28 WO disclosed
EP-1234007-B1 OLIGOMERIC METHINE DYES CLARIANT FINANCE BVI LTD (VG) 2004-02-18 EP disclosed
EP-1234007-A1 OLIGOMERIC METHINE DYES Clariant Finance (BVI) Limited (VG) 2002-08-28 EP disclosed
US-20010012899-A1 Oligomeric methine dyes CLARIANT FINANCE ( BVI) LIMITED 2001-08-09 US disclosed
WO-2001036543-A1 OLIGOMERIC METHINE DYES CLARIANT FINANCE (BVI) LIMITED (VG) 2001-05-25 WO disclosed
US-5750552-A ANTIULCER AGENTS ARAX CO., LTD. (JP) 1998-05-12 US disclosed
EP-0736527-A1 Imadazoline derivative, possible tautomer thereof, process of manufacturing therefor, and vulnerary including such derivative or tautomer ARAX CO., LTD. (JP) 1996-10-09 EP disclosed
US-4256458-A DIMERIC PYRIDINIUM DYES BASF AKTIENGESELLSCHAFT (DE) 1981-03-17 US 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 (3 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-20080176857-A1 4-Piperazinnylthieno[2,3-d]Pyrimidine Compounds as Platelet Aggregation Inhibitors TBXA2R, P2RY4, PF4 MAPT 4361/4885TDP1 1332/4885OPRM1 1608/4885
US-20010012899-A1 Oligomeric methine dyes INMT, DDT, DDC MAPT 95/4885TDP1 449/4885OPRM1 74/4885
US-20100190754-A1 AZOLYLMETHYLIDENEHYDRAZINE DERIVATIVE AND USE THEREOF ARSA, AHR, HRH2 MAPT 4346/4885TDP1 4865/4885OPRM1 536/4885

“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.