SCHEMBL67997

SCHEMBL67997

Cc1ccc([N+](=O)[O-])c(CBr)c1

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.60
CYP3A4 P08684 2/20 0.60
KAT2B Q92831 3/20 0.44
ACHE P22303 3/20 0.42
GPR35 Q9HC97 1/20 0.41
HSD17B10 Q99714 1/20 0.41
MEN1 O00255 1/20 0.40
RAB9A P51151 1/20 0.40
KMT2A Q03164 1/20 0.40
MAPT P10636 4/20 0.40
TDP1 Q9NUW8 1/20 0.39
ALDH1A1 P00352 4/20 0.39
LMNA P02545 2/20 0.39
S1PR4 O95977 1/20 0.39
MAPK1 P28482 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL12090352 0.85 TSHR (0.60) TSHRCYP3A4KAT2BACHEGPR35
SCHEMBL7193090 0.85 TSHR (0.64) TSHRCYP3A4KAT2BACHEGPR35
SCHEMBL27599498 0.83 TSHR (0.62) TSHRCYP3A4KAT2BACHEGPR35
SCHEMBL68019 0.81 TSHR (0.60) TSHRCYP3A4KAT2BACHEGPR35
SCHEMBL68365 0.81 TSHR (0.60) TSHRCYP3A4KAT2BACHEGPR35
SCHEMBL6907821 0.81 TSHR (0.60) TSHRCYP3A4KAT2BACHEGPR35
SCHEMBL16976285 0.81 TSHR (0.60) TSHRCYP3A4KAT2BACHEGPR35
SCHEMBL29137475 0.81 TSHR (0.60) TSHRCYP3A4KAT2BACHEGPR35
SCHEMBL31672310 0.81 TSHR (0.60) TSHRCYP3A4KAT2BACHEGPR35
SCHEMBL29561837 0.79 ACHE (0.43) TSHRCYP3A4ACHEGPR35MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114929688-B 3- (4- (11H-dibenzo [ b, e ] [1,4] azepin-6-yl) piperazin-1-yl) -and 3- (4- (dibenzo [ b, f ] [1,4] oxazepin/thiazepin/diazepin-11-yl) piperazin-1-yl) -propionic acid derivatives as H1 and 5-HT 2A-receptor modulators for the treatment of sleep disorders 阿莱瑞恩公司 2024-11-01 CN disclosed
EP-4048667-B1 3-(4-(11H-DIBENZO[B,E][1,4]AZEPIN-6-YL)PIPERAZIN-1-YL)- AND 3-(4-(DIBENZO[B,F][1,4]OXAZEPIN/THIAZEPIN/DIAZEPIN-11-YL)PIPERAZIN-1-YL)-PROPANOIC ACID DERIVATIVES AS H1 AND 5-HT2A-RECEPTOR MODULATORS FOR THE TREATMENT OF SLEEP DISORDERS ALAIRION INC (US) 2024-07-03 EP disclosed
EP-4048667-A1 3-(4-(11H-DIBENZO[B,E][1,4]AZEPIN-6-YL)PIPERAZIN-1-YL)- AND 3-(4-(DIBENZO[B,F][1,4]OXAZEPIN/THIAZEPIN/DIAZEPIN-11-YL)PIPERAZIN-1-YL)-PROPANO IC ACID DERIVATIVES AS H1 AND 5-HT2A-RECEPTOR MODULATORS FOR THE TREATMENT OF SLEEP DISORDERS Alairion, Inc. (US) 2022-08-31 EP disclosed
CN-114929688-A 3- (4- (11H-dibenzo [ b, e ] [1,4] azepin-6-yl) piperazin-1-yl) -and 3- (4- (dibenzo [ b, f ] [1,4] oxazepin/thiazepin/diazepin-11-yl) piperazin-1-yl) -propionic acid derivatives as H1 and 5-HT 2A-receptor modulators for the treatment of sleep disorders 阿莱瑞恩公司 2022-08-19 CN disclosed
US-11046651-B2 Piperazine substituted azapine derivatives and uses thereof ALAIRION, INC. (US) 2021-06-29 US disclosed
US-11046651-B2 Piperazine substituted azapine derivatives and uses thereof ALAIRION, INC. (US) 2021-06-29 US disclosed
US-20210114989-A1 PIPERAZINE SUBSTITUTED AZAPINE DERIVATIVES AND USES THEREOF Neumora Therapeutics, Inc. 2021-04-22 US disclosed
US-20210114989-A1 PIPERAZINE SUBSTITUTED AZAPINE DERIVATIVES AND USES THEREOF Neumora Therapeutics, Inc. 2021-04-22 US disclosed
US-9738628-B2 Substituted 1H-indazol-1-OL analogs as inhibitors of beta catenin/Tcf protein-protein interactions UNIVERSITY OF UTAH RESEARCH FOUNDATION (US) 2017-08-22 US disclosed
US-9738628-B2 Substituted 1H-indazol-1-OL analogs as inhibitors of beta catenin/Tcf protein-protein interactions UNIVERSITY OF UTAH RESEARCH FOUNDATION (US) 2017-08-22 US disclosed
US-20030229068-A1 2-oxo-1,3,4-trihydroquinazolinyl derivatives and methods of use AMGEN INC. 2003-12-11 US disclosed
WO-2003101985-A1 2-OXO-1,3,4-TRIHYDROQUINAZOLINYL DERIVATIVES FOR THE TREATMENT OF CELL PROLIFERATION-RELATED DISORDERS AMGEN INC. (US) 2003-12-11 WO disclosed
US-6544984-B1 Treating disease conditions mediated by matrix metalloproteinases and TACE, such as tumor growth, osteoarthritis, rheumatoid arthritis and degenerative cartilage loss. AMERICAN CYANAMID COMPANY 2003-04-08 US disclosed
CN-1337952-A 2,3,4, 5-tetrahydro-1H- [1,4] benzodiazepine-3-hydroxamic acids as matrix metalloproteinase inhibitors AMERICAN CYANAMID CO (US) 2002-02-27 CN disclosed
EP-1147095-A1 2, 3, 4, 5-TETRAHYDRO-1H-[1, 4] BENZODIAZEPINE-3-HYDROXAMIC ACIDS AS MATRIX METALLOPROTEINASE INHIBITORS American Cyanamid Company (US) 2001-10-24 EP disclosed
CN-1293663-A 2,3,4,5-tetrahydro-1H-[1,4] benzodiazepine-3-hydroxamix acids as matrix metal-protease AMERICAN CYANAMID CO (US) 2001-05-02 CN disclosed
EP-1051407-A1 2,3,4,5-TETRAHYDRO-1H-[1,4]-BENZODIAZEPINE-3-HYDROXAMIC ACIDS AS MATRIX METALLOPROTEINASE INHIBITORS American Cyanamid Company (US) 2000-11-15 EP disclosed
WO-2000044730-A1 2,3,4,5-TETRAHYDRO-1H-[1,4]BENZODIAZEPINE-3-HYDROXAMIC ACID AS MATRIX METALLOPROTEINASE INHIBITORS AMERICAN CYANAMID COMPANY (US) 2000-08-03 WO disclosed
US-6071903-A ENZYME INHIBITORS OF MATRIX METALLOPROTEINASES (MMPS); ANTITUMOR,-CARCINOGENIC AND -ARTHRITIC AGENTS; OSTEOARTHRITIS; RHEUMATOID DISEASES; DEGENERATIVE CARTILAGE LOSS; LONG-ACTING, ORALLY BIOAVAILABLE NONPEPTIDE INHIBITORS AMERICAN CYANAMID COMPANY (US) 2000-06-06 US disclosed
WO-1999037625-A1 2,3,4,5-TETRAHYDRO-1H-[1,4]-BENZODIAZEPINE-3-HYDROXAMIC ACIDS AS MATRIX METALLOPROTEINASE INHIBITORS AMERICAN CYANAMID COMPANY (US) 1999-07-29 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 (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-11046651-B2 Piperazine substituted azapine derivatives and uses thereof HTR2A, HTR5A, HTR2C TSHR 441/4885CYP3A4 280/4885KAT2B 1115/4885
US-20030229068-A1 2-oxo-1,3,4-trihydroquinazolinyl derivatives and methods of use CASP3, BAX, BAD TSHR 3744/4885CYP3A4 104/4885KAT2B 4359/4885
US-20210114989-A1 PIPERAZINE SUBSTITUTED AZAPINE DERIVATIVES AND USES THEREOF HTR2A, HTR5A, HTR2C TSHR 441/4885CYP3A4 280/4885KAT2B 1115/4885

“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.