SCHEMBL669577

SCHEMBL669577

c1ccc2c(c1)cc1n2CCCC1

nearest known ligand 0.62

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 5/20 0.62
HTR2C P28335 5/20 0.62
SIGMAR1 Q99720 11/20 0.47
NOTUM Q6P988 1/20 0.44
HTR1A P08908 1/20 0.40

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
SCHEMBL29548539 1.00 HTR2A (0.62) HTR2AHTR2CSIGMAR1NOTUMHTR1A
SCHEMBL18911620 0.98 HTR2A (0.60) HTR2AHTR2CSIGMAR1NOTUMHTR1A
SCHEMBL7300514 0.98 HTR2A (0.60) HTR2AHTR2CSIGMAR1NOTUMHTR1A
SCHEMBL761931 0.94 HTR2A (0.64) HTR2AHTR2CSIGMAR1NOTUMHTR1A
SCHEMBL30703022 0.94 HTR2A (0.64) HTR2AHTR2CSIGMAR1NOTUMHTR1A
Acetic Acid SCHEMBL13279290 0.89 HTR2A (0.55) HTR2AHTR2CSIGMAR1
SCHEMBL18911621 0.86 HTR2A (0.73) HTR2AHTR2CSIGMAR1NOTUMHTR1A
SCHEMBL24916793 0.77 SIGMAR1 (0.50) HTR2AHTR2CSIGMAR1
SCHEMBL6714308 0.77 HTR2A (1.00) HTR2AHTR2CSIGMAR1HTR1A
SCHEMBL29391845 0.77 HTR2A (1.00) HTR2AHTR2CSIGMAR1NOTUM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1181282-A2 BENZOTHIAZINONE AND BENZOXAZINONE COMPOUNDS BASF AKTIENGESELLSCHAFT (DE) 2002-02-27 EP claimed
WO-2000075139-A2 BENZOTHIAZINONE AND BENZOXAZINONE COMPOUNDS BASF AKTIENGESELLSCHAFT (DE) 2000-12-14 WO claimed
US-20230120881-A1 BINUCLEAR GOLD(I) COMPOUNDS FOR PHOTOCATALYSIS APPLICATIONS University of Hong Kong Versitech Limited (CN) 2023-04-20 US disclosed
US-20230120881-A1 BINUCLEAR GOLD(I) COMPOUNDS FOR PHOTOCATALYSIS APPLICATIONS University of Hong Kong Versitech Limited (CN) 2023-04-20 US disclosed
EP-4122940-A1 BINUCLEAR GOLD(I) COMPOUNDS FOR PHOTOCATALYSIS APPLICATIONS Versitech Limited (CN) 2023-01-25 EP disclosed
EP-4122940-A1 BINUCLEAR GOLD(I) COMPOUNDS FOR PHOTOCATALYSIS APPLICATIONS Versitech Limited (CN) 2023-01-25 EP disclosed
EP-3290419-B1 FUSED-RING OR TRICYCLIC ARYL PYRIMIDINE COMPOUND USED AS KINASE INHIBITOR GUANGDONG ZHONGSHENG PHARMACEUTICAL CO LTD (CN) 2019-08-07 EP disclosed
EP-3290419-B1 FUSED-RING OR TRICYCLIC ARYL PYRIMIDINE COMPOUND USED AS KINASE INHIBITOR GUANGDONG ZHONGSHENG PHARMACEUTICAL CO LTD (CN) 2019-08-07 EP disclosed
EP-3312179-B1 FUSED-RING OR TRICYCLIC ARYL PYRIMIDINE COMPOUND USED AS KINASE INHIBITOR NANJING SANHOME PHARMACEUTICAL CO LTD (CN) 2019-07-10 EP disclosed
EP-3312179-B1 FUSED-RING OR TRICYCLIC ARYL PYRIMIDINE COMPOUND USED AS KINASE INHIBITOR NANJING SANHOME PHARMACEUTICAL CO LTD (CN) 2019-07-10 EP disclosed
EP-3489235-A1 TRICYCLIC COMPOUND AS CRTH2 INHIBITOR Chia Tai Tianqing Pharmaceutical Group Co., Ltd. (CN) 2019-05-29 EP disclosed
EP-1181282-A2 BENZOTHIAZINONE AND BENZOXAZINONE COMPOUNDS BASF AKTIENGESELLSCHAFT (DE) 2002-02-27 EP disclosed
WO-2000075139-A2 BENZOTHIAZINONE AND BENZOXAZINONE COMPOUNDS BASF AKTIENGESELLSCHAFT (DE) 2000-12-14 WO disclosed
US-5721245-A ANTIINFLAMMATORY AGENTS, RESPIRATORY SYSTEM DISORDERS, CARDIOVASCULAR DISORDERS HOFFMANN-LA ROCHE INC. (US) 1998-02-24 US disclosed
EP-0384349-B1 Substituted pyrroles HOFFMANN LA ROCHE (CH) 1994-04-27 EP disclosed
US-5192770-A Antiemetic, anxiolytic, cognition activator SYNTEX (U.S.A.) INC. (US) 1993-03-09 US disclosed
US-5189041-A Gastrointestinal and nervous system disorders, cardiovascular disorders, analgesics SYNTEX (U.S.A.) INC. (US) 1993-02-23 US disclosed
EP-0490263-A1 Alpha-oxoacetamide derivatives SYNTEX (U.S.A.) INC. (US) 1992-06-17 EP disclosed
EP-0485962-A2 New tricyclic compounds SYNTEX (U.S.A.) INC. (US) 1992-05-20 EP disclosed
EP-0384349-A1 Substituted pyrroles F. HOFFMANN-LA ROCHE AG (CH) 1990-08-29 EP 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 (1 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-20230120881-A1 BINUCLEAR GOLD(I) COMPOUNDS FOR PHOTOCATALYSIS APPLICATIONS PPOX, AP3M1, AP2M1 HTR2A 786/4885HTR2C 279/4885SIGMAR1 3534/4885

“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.