SCHEMBL3553258

SCHEMBL3553258

C[C@H](N)COCc1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 6/20 0.59
TSHR P16473 1/20 0.56
SLC6A2 P23975 2/20 0.54
TAAR1 Q96RJ0 2/20 0.54
MAOA P21397 1/20 0.54
SLC6A4 P31645 1/20 0.54
SLC6A3 Q01959 1/20 0.54
SIGMAR1 Q99720 1/20 0.54
CYP2A6 P11509 1/20 0.54
ADORA2A P29274 1/20 0.54
ADORA1 P30542 1/20 0.54
CA1 P00915 4/20 0.52
CA2 P00918 2/20 0.52
CA7 P43166 2/20 0.52
CA9 Q16790 2/20 0.52
SLC1A1 P43005 1/20 0.51
KMT2A Q03164 1/20 0.49
IDO1 P14902 1/20 0.46

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
SCHEMBL1967290 1.00 TACR1 (0.59) TACR1TSHRSLC6A2TAAR1MAOA
SCHEMBL507258 1.00 TACR1 (0.59) TACR1TSHRSLC6A2TAAR1MAOA
Trifluoroacetic Acid SCHEMBL23390351 0.85 SLC1A1 (0.51) TACR1SLC6A2TAAR1MAOASLC6A4
Trifluoroacetic Acid SCHEMBL23390354 0.85 SLC1A1 (0.51) TACR1SLC6A2TAAR1MAOASLC6A4
SCHEMBL7421010 0.84 TACR1 (0.66) TACR1TSHRCA1CA2CA7
SCHEMBL7332866 0.84 TACR1 (0.66) TACR1TSHRCA1CA2CA7
SCHEMBL9677926 0.84 TACR1 (0.66) TACR1TSHRCA1CA2CA7
SCHEMBL22013212 0.83 TACR1 (0.63) TACR1TSHRCA1CA2CA7
SCHEMBL7095981 0.83 TACR1 (0.75) TACR1TSHRCA1CA2CA7
SCHEMBL18394417 0.83 TACR1 (0.63) TACR1TSHRCA1CA2CA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260085067-A1 CYCLIC SULFONAMIDE RIBONUCLEOTIDE REDUCTASE (RNR) INHIBITORS AND USES THEREOF BOUNDLESS BIO INC (US) 2026-03-26 US disclosed
EP-4587437-A1 CYCLIC SULFONAMIDE RIBONUCLEOTIDE REDUCTASE (RNR) INHIBITORS AND USES THEREOF Boundless Bio, Inc. (US) 2025-07-23 EP disclosed
US-12195446-B2 Heteroaryl compounds and their use as therapeutic drugs DONG-A SOCIO HOLDINGS CO., LTD. (KR) 2025-01-14 US disclosed
US-20240294565-A1 UNNATURAL CONFIGURATION NUCLEOTIDE PRODRUG COMPOUNDS LIGAND PHARMACEUTICALS INCORPORATED 2024-09-05 US disclosed
WO-2024059563-A1 CYCLIC SULFONAMIDE RIBONUCLEOTIDE REDUCTASE (RNR) INHIBITORS AND USES THEREOF BOUNDLESS BIO, INC. (US) 2024-03-21 WO disclosed
US-20230295152-A1 PYRIDOPYRIMIDINONE DERIVATIVES AS AHR ANTAGONISTS SENDA BIOSCIENCES, INC. (US) 2023-09-21 US disclosed
US-20230295152-A1 PYRIDOPYRIMIDINONE DERIVATIVES AS AHR ANTAGONISTS SENDA BIOSCIENCES, INC. (US) 2023-09-21 US disclosed
US-20230295152-A1 PYRIDOPYRIMIDINONE DERIVATIVES AS AHR ANTAGONISTS SENDA BIOSCIENCES, INC. (US) 2023-09-21 US disclosed
US-20230002353-A1 HETEROARYL COMPOUNDS AND THEIR USE AS THERAPEUTIC DRUGS DONG A SOCIO HOLDINGS CO LTD (KR) 2023-01-05 US disclosed
CN-115397512-A Pyridopyrimidinone derivatives as AHR antagonists 先达生物科技公司 2022-11-25 CN disclosed
US-20170066742-A1 HETEROARYL COMPOUNDS AND THEIR USE AS THERAPEUTIC DRUGS DONG-A SOCIO HOLDINGS CO LTD (KR) 2017-03-09 US disclosed
WO-2017039331-A1 HETEROARYL COMPOUNDS AND THEIR USE AS THERAPEUTIC DRUGS DONG-A SOCIO HOLDINGS CO., LTD. (KR) 2017-03-09 WO disclosed
EP-1641887-B1 CARBON-SUBSTITUTED METHYL AMINE DERIVATIVES AND THEIR USE AS A RHEOLOGY CONTROL AGENT NUPLEX RESINS BV (NL) 2010-10-06 EP disclosed
US-7671068-B2 N-(alkoxyalkyl) carbamoyl-substituted 6-phenyl-benzonaphthyridine derivatives and their use as PDE ¾ inhibitors NYCOMED GMBH (DE) 2010-03-02 US disclosed
US-20090012071-A1 4-SUBSTITUTED-1H-ISOTHIAZOLO[5,4-B][1,4]OXAZINO[2,3,4-IJ]QUINOLINE-7,8(2H,9H)-DIONES AND RELATED COMPOUNDS AS ANTI-INFECTIVE AGENTS ACHILLION PHARMACEUTICALS, INC. (US) 2009-01-08 US disclosed
US-20070208051-A1 Novel N-(Alkoxyalkyl) Carbamoyl-Substituted 6-Phenyl-Benzonaphthyridine Derivatives and their Use as Pde 3/4 Inhibitors ALTANA PHARMA AG (DE) 2007-09-06 US disclosed
EP-1732925-A1 NOVEL N-(ALKOXYALKYL)CARBAMOYL- SUBSTITUTED 6-PHENYL-BENZONAPHTHYRIDINE DERIVATIVES AND THEIR USE AS PDE3/4 INHIBITORS Altana Pharma AG (DE) 2006-12-20 EP disclosed
WO-2005090345-A1 NOVEL N- (ALKOXYALKYL) CARBAMOYL - SUBSTITUTED 6-PHENYL-BENZONAPHTHYRIDINE DERIVATIVES AND THEIR USE AS PDE3/4 INHIBITORS ALTANA PHARMA AG (DE) 2005-09-29 WO disclosed
EP-0877815-A1 METHOD OF PRODUCING OPTICALLY ACTIVE AMINES BAYER AG (DE) 1998-11-18 EP disclosed
WO-1997028271-A1 METHOD OF PRODUCING OPTICALLY ACTIVE AMINES BAYER AKTIENGESELLSCHAFT (DE) 1997-08-07 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 (8 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-20230295152-A1 PYRIDOPYRIMIDINONE DERIVATIVES AS AHR ANTAGONISTS AHR, ARNT, AIPL1 TACR1 1288/4885TSHR 1109/4885SLC6A2 4616/4885
US-12195446-B2 Heteroaryl compounds and their use as therapeutic drugs MERTK, ERBB2, SRC TACR1 801/4885TSHR 1878/4885SLC6A2 1378/4885
US-20090012071-A1 4-SUBSTITUTED-1H-ISOTHIAZOLO[5,4-B][1,4]OXAZINO[2,3,4-IJ]QUINOLINE-7,8(2H,9H)-DIONES AND RELATED COMPOUNDS AS ANTI-INFECTIVE AGENTS TOP1, TOP2B, TOP2A TACR1 3811/4885TSHR 4685/4885SLC6A2 3343/4885
US-20260085067-A1 CYCLIC SULFONAMIDE RIBONUCLEOTIDE REDUCTASE (RNR) INHIBITORS AND USES THEREOF RRM1, RRM2B, RRM2 TACR1 260/4885TSHR 76/4885SLC6A2 880/4885
US-20070208051-A1 Novel N-(Alkoxyalkyl) Carbamoyl-Substituted 6-Phenyl-Benzonaphthyridine Derivatives and their Use as Pde 3/4 Inhibitors PDE3A, PDE4A, PDE5A TACR1 734/4885TSHR 1788/4885SLC6A2 902/4885
US-20230002353-A1 HETEROARYL COMPOUNDS AND THEIR USE AS THERAPEUTIC DRUGS MERTK, ERBB2, SRC TACR1 801/4885TSHR 1878/4885SLC6A2 1378/4885
US-20240294565-A1 UNNATURAL CONFIGURATION NUCLEOTIDE PRODRUG COMPOUNDS PNP, NUDT1, ENTPD5 TACR1 1886/4885TSHR 3979/4885SLC6A2 822/4885
US-20170066742-A1 HETEROARYL COMPOUNDS AND THEIR USE AS THERAPEUTIC DRUGS MERTK, ERBB2, SRC TACR1 801/4885TSHR 1878/4885SLC6A2 1378/4885

“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.