SCHEMBL4095527

SCHEMBL4095527

c1cnc2c(c1)CCc1cccnc1-2

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 7/20 0.49
CHRM2 P08172 2/20 0.49
HTR1A P08908 2/20 0.49
CHRM1 P11229 2/20 0.49
DRD2 P14416 2/20 0.49
HTR2A P28223 2/20 0.49
HTR2C P28335 2/20 0.49
ADRA1A P35348 2/20 0.49
OPRK1 P41145 2/20 0.49
HTR2B P41595 2/20 0.49
KCNH2 Q12809 2/20 0.49
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
LMNA P02545 1/20 0.42
ADRB2 P07550 1/20 0.42
CHRM4 P08173 1/20 0.42
ABCB1 P08183 1/20 0.42
CHRM5 P08912 1/20 0.42
ADRA2A P08913 1/20 0.42
ADRA2B P18089 1/20 0.42

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
SCHEMBL4912110 0.90 TSHR (0.43) HRH1CHRM2HTR1ACHRM1DRD2
SCHEMBL13421144 0.87 HRH1 (0.41) HRH1CHRM2HTR1ACHRM1DRD2
SCHEMBL31317931 0.84 HRH1 (0.58) HRH1CHRM2HTR1ACHRM1DRD2
SCHEMBL10196364 0.84 HRH1 (0.42) HRH1CHRM2HTR1ACHRM1DRD2
SCHEMBL29439737 0.84 TDP2 (0.45) HRH1CHRM2HTR1ACHRM1DRD2
SCHEMBL730635 0.84 HRH1 (0.58) HRH1CHRM2HTR1ACHRM1DRD2
SCHEMBL2456241 0.84 TDP2 (0.45) HRH1CHRM2HTR1ACHRM1DRD2
SCHEMBL28964982 0.84 HRH1 (0.42) HRH1CHRM2HTR1ACHRM1DRD2
SCHEMBL577689 0.83 TDP1 (0.42) HRH1CHRM2HTR1ACHRM1DRD2
SCHEMBL595017 0.83 HRH1 (0.40) HRH1CHRM2HTR1ACHRM1DRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2072517-B1 Asymmetric phenanthrolins, method for their manufacture and doped organic semiconductor material containing them NOVALED GMBH (DE) 2015-01-21 EP claimed
WO-2009083197-A2 ASYMMETRIC PHENANTHROLINES, PREPARATION PROCESS THEREFORE AND DOPED ORGANIC SEMICONDUCTOR MATERIAL CONTAINING THEM NOVALED AG (DE) 2009-07-09 WO claimed
EP-2072517-A1 Asymmetric phenanthrolins, method for their manufacture and doped organic semiconductor material containing them Novaled AG (DE) 2009-06-24 EP claimed
US-11829036-B2 Optically anisotropic multilayer product and method for producing same ZEON CORPORATION (JP) 2023-11-28 US disclosed
CN-114345300-B Adsorbent and preparation method thereof, and method for purifying cycloolefin polymer 万华化学集团股份有限公司 2023-07-14 CN disclosed
EP-3605190-B1 LIGHT-EMITTING DISPLAY SYSTEM AND HEAD-UP DISPLAY SEKISUI CHEMICAL CO LTD (JP) 2023-05-03 EP disclosed
CN-114345300-A Adsorbent and preparation method thereof, and method for purifying cyclic olefin polymer 万华化学集团股份有限公司 2022-04-15 CN disclosed
EP-2976347-B1 METAL-BASED COORDINATION COMPLEXES AS PHOTODYNAMIC COMPOUNDS AND THEIR USE MCFARLAND SHERRI ANN (US) 2022-01-19 EP disclosed
CN-112480112-B Method for synthesizing substituted dihydrophenanthroline compound 浙江工业大学 2021-10-15 CN disclosed
EP-3239157-B1 NOVEL GROUP 4 TRANSITION METAL COMPOUND AND USE THEREOF HANWHA CHEMICAL CORP (KR) 2021-09-29 EP disclosed
US-20210179619-A1 MITRAGYNINE ANALOGS FOR THE TREATMENT OF PAIN, MOOD DISORDERS AND SUBSTANCE USE DISORDERS THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2021-06-17 US disclosed
US-7279233-B2 Light-emitting material and light-emitting device CANON KABUSHIKI KAISHA (JP) 2007-10-09 US disclosed
WO-2007096597-A1 MOLECULAR DYE FOR SPECTROSCOPY E2V BIOSENSORS LIMITED (GB) 2007-08-30 WO disclosed
US-20070160871-A1 MATERIAL FOR ORGANIC ELECTROLUMINESCENT DEVICE AND ORGANIC ELECTROLUMINESCENT DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2007-07-12 US disclosed
US-20070160871-A1 MATERIAL FOR ORGANIC ELECTROLUMINESCENT DEVICE AND ORGANIC ELECTROLUMINESCENT DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2007-07-12 US disclosed
WO-2007022307-A2 LIGANDS FOR METAL IONS AND METHODS FOR MAKING AND USING THE SAME UNIVERSITY OF NORTH CAROLINA AT WILMINGTON (US) 2007-02-22 WO disclosed
EP-1626712-A2 SAURURUS CERNUUS COMPOUNDS THAT INHIBIT CELLULAR RESPONSES TO HYPOXIA THE UNIVERSITY OF MISSISSIPPI (US) 2006-02-22 EP disclosed
WO-2004110348-A2 SAURURUS CERNUUS COMPOUNDS THAT INHIBIT CELLULAR RESPONSES TO HYPOXIA THE UNIVERSITY OF MISSISSIPPI (US) 2004-12-23 WO disclosed
CN-1088713-C Ruthenium (II) polypyridine match for two-stage pH sensing and its preparing process CHINESE ACAD INST CHEMISTRY (CN) 2002-08-07 CN disclosed
CN-1289774-A Ruthenium (II) polypyridine match for two-stage pH sensing and its preparing process CHINESE ACAD INST CHEMISTRY (CN) 2001-04-04 CN 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 (2 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-20070160871-A1 MATERIAL FOR ORGANIC ELECTROLUMINESCENT DEVICE AND ORGANIC ELECTROLUMINESCENT DEVICE AFF4, HCN4, KCNH3 HRH1 1125/4885CHRM2 27/4885HTR1A 3158/4885
US-20210179619-A1 MITRAGYNINE ANALOGS FOR THE TREATMENT OF PAIN, MOOD DISORDERS AND SUBSTANCE USE DISORDERS DRD2, OPRK1, OPRD1 HRH1 371/4885CHRM2 1055/4885HTR1A 16/4885

“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.