SCHEMBL4969401

SCHEMBL4969401

C1=NNCCc2ccccc21

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 1/20 0.43
MAOB P27338 3/20 0.39
PNMT P11086 1/20 0.39
CD44 P16070 1/20 0.39
TRPA1 O75762 1/20 0.38
NISCH Q9Y2I1 1/20 0.38
PDPK1 O15530 1/20 0.34
PARP1 P09874 1/20 0.34
PARP10 Q53GL7 1/20 0.34
PARP11 Q9NR21 1/20 0.34
PRCP P42785 2/20 0.33
RECQL P46063 1/20 0.33
TSHR P16473 1/20 0.32
CYP19A1 P11511 1/20 0.32
CYP11B1 P15538 1/20 0.32
CYP11B2 P19099 1/20 0.32

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
SCHEMBL19540042 0.88 TSHR (0.39) HTR2CMAOBPNMTCD44TRPA1
SCHEMBL28067377 0.88 HTR2C (0.34) HTR2CMAOBPNMTCD44TRPA1
SCHEMBL213709 0.78 PARP1 (0.42) HTR2CMAOBPNMTCD44TRPA1
SCHEMBL29696017 0.78 PARP1 (0.42) HTR2CMAOBPNMTCD44TRPA1
SCHEMBL6488209 0.77 PARP1 (0.41) HTR2CMAOBPNMTCD44TRPA1
SCHEMBL7309901 0.72 PARP1 (0.37) MAOBPNMTCD44TRPA1PARP1
Formic Acid SCHEMBL28778115 0.69 PARP1 (0.35) TRPA1PARP1
SCHEMBL19579719 0.67 HTR2C (0.48) HTR2CMAOBPNMTCD44NISCH
SCHEMBL56690 0.67 TRPA1 (0.42) HTR2CMAOBTRPA1NISCHTSHR
Bromide SCHEMBL7979442 0.65 TRPA1 (0.41) HTR2CMAOBTRPA1NISCHTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104755473-B 2,3 benzodiazepine * 拜耳医药股份有限公司 2017-03-08 CN claimed
US-4423044-A NERVOUS SYSTEM DISORDERS EGYT GYOGYSZERVEGYESZETI GYAR (HU) 1983-12-27 US claimed
US-9890147-B2 2,3-benzodiazepines BAYER PHARMA AKTIENGESELLSHAFT (DE) 2018-02-13 US disclosed
EP-2885286-B1 2,3-BENZODIAZEPINES Bayer Pharma AG (DE) 2017-03-22 EP disclosed
CN-104755473-B 2,3 benzodiazepine * 拜耳医药股份有限公司 2017-03-08 CN disclosed
US-20160129011-A1 BICYCLO 2,3-BENZODIAZEPINES AND SPIROCYCLICALLY SUBSTITUTED 2,3-BENZODIAZEPINES Bayer Pharma AG (DE) 2016-05-12 US disclosed
CN-105263919-A Bicyclo 2,3-benzodiazepines and spirocyclically substituted 2,3-benzodiazepines Bayer Pharma AG 2016-01-20 CN disclosed
EP-2958909-A1 BICYCLO 2,3-BENZODIAZEPINES AND SPIROCYCLICALLY SUBSTITUTED 2,3-BENZODIAZEPINES Bayer Pharma Aktiengesellschaft (DE) 2015-12-30 EP disclosed
WO-2015121226-A1 6-SUBSTITUTED 2,3-BENZODIAZEPINES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2015-08-20 WO disclosed
US-20150203483-A1 2,3-BENZODIAZEPINES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2015-07-23 US disclosed
CN-104755473-A 2,3-benzodiazepines Bayer Pharma AG 2015-07-01 CN disclosed
WO-2004069197-A2 NOVEL SUBSTITUTED 2,3-BENZODIAZEPINE DERIVATIVES IVAX CORPORATION (US) 2004-08-19 WO disclosed
US-20040152693-A1 Novel substituted 2,3-benzodiazepine derivatives IVAX DRUG RESEARCH INSTITUTE, LTD. 2004-08-05 US disclosed
EP-0726257-B1 1-(Hetero)Arylvinyl-5H-2,3-benzodiazepine derivatives useful for the treatment of central nervous system disorders, and benzopyrylium intermediates for their preparation EGYT GYOGYSZERVEGYESZETI GYAR (HU) 2001-04-11 EP disclosed
US-6075018-A TRANQUILIZERS EGIS GYOGYSZERGYAR RT. (HU) 2000-06-13 US disclosed
EP-0726256-A1 1-Arylvinyl-3,4-dihydro-5H-2,3-benzodiazepine derivatives useful for the treatment of central nervous system disorders EGIS GYOGYSZERGYAR RT. (HU) 1996-08-14 EP disclosed
US-4835152-A CENTRAL NERVOUS SYSTEM STIMULANTS BIOGAL GYOGYSZERGYAR (HU) 1989-05-30 US disclosed
US-4423044-A NERVOUS SYSTEM DISORDERS EGYT GYOGYSZERVEGYESZETI GYAR (HU) 1983-12-27 US disclosed
US-4423044-A NERVOUS SYSTEM DISORDERS EGYT GYOGYSZERVEGYESZETI GYAR (HU) 1983-12-27 US disclosed
US-4423044-A NERVOUS SYSTEM DISORDERS EGYT GYOGYSZERVEGYESZETI GYAR (HU) 1983-12-27 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-20160129011-A1 BICYCLO 2,3-BENZODIAZEPINES AND SPIROCYCLICALLY SUBSTITUTED 2,3-BENZODIAZEPINES BRD4, BRDT, BICRA HTR2C 1394/4885MAOB 3088/4885PNMT 2635/4885
US-20040152693-A1 Novel substituted 2,3-benzodiazepine derivatives GABRB2, GABRB3, GABRA2 HTR2C 442/4885MAOB 619/4885PNMT 3113/4885
US-20150203483-A1 2,3-BENZODIAZEPINES BRD4, BET1, BRDT HTR2C 1475/4885MAOB 1345/4885PNMT 2401/4885

“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.