SCHEMBL110634

SCHEMBL110634

NCc1ccc2c(c1)OCCO2

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CD274 Q9NZQ7 1/20 0.57
TAAR1 Q96RJ0 3/20 0.55
CYP2D6 P10635 1/20 0.50
SLC6A4 P31645 2/20 0.48
GAA P10253 2/20 0.47
MAPT P10636 2/20 0.47
KDM4E B2RXH2 1/20 0.47
LMNA P02545 2/20 0.46
ALDH1A1 P00352 2/20 0.46
USP2 O75604 1/20 0.46
HPGD P15428 1/20 0.46
ALOX15 P16050 1/20 0.46
HTT P42858 1/20 0.46
RAB9A P51151 1/20 0.46
HSD17B10 Q99714 1/20 0.46
SLC6A2 P23975 1/20 0.46
SLC6A3 Q01959 1/20 0.46
TSHR P16473 1/20 0.46
TP53 P04637 1/20 0.45
CYP1A2 P05177 1/20 0.44

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
Hydrochloric Acid SCHEMBL3761404 0.98 CD274 (0.55) CD274TAAR1CYP2D6SLC6A4GAA
SCHEMBL18101286 0.94 MAPT (0.56) CD274TAAR1CYP2D6SLC6A4GAA
SCHEMBL18101265 0.94 MAPT (0.56) CD274TAAR1CYP2D6SLC6A4GAA
SCHEMBL18101238 0.94 MAPT (0.56) CD274TAAR1CYP2D6SLC6A4GAA
SCHEMBL18101263 0.94 MAPT (0.56) CD274TAAR1CYP2D6SLC6A4GAA
SCHEMBL111534 0.92 TAAR1 (0.52) CD274TAAR1CYP2D6SLC6A4GAA
SCHEMBL57649 0.87 TAAR1 (0.71) TAAR1CYP2D6SLC6A4GAAMAPT
SCHEMBL29463278 0.87 TAAR1 (0.71) TAAR1CYP2D6SLC6A4GAAMAPT
Water SCHEMBL25339785 0.85 TAAR1 (0.69) TAAR1CYP2D6SLC6A4GAAMAPT
Hydrochloric Acid SCHEMBL5013418 0.85 TAAR1 (0.69) TAAR1CYP2D6SLC6A4GAAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1773768-B1 PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS EXELIXIS INC (US) 2018-08-22 EP claimed
EP-1610779-B1 3-OXO-1,3-DIHYDRO-INDAZOLE-2-CARBOXYLIC ACID AMIDE DERIVATIVES AS PHOSPHOLIPASE INHIBITORS LILLY CO ELI (US) 2009-09-09 EP claimed
EP-1773768-A4 PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS EXELIXIS INC (US) 2008-08-06 EP claimed
EP-1773768-A2 PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS Exelixis, Inc. (US) 2007-04-18 EP claimed
US-20060211755-A1 3-oxo-1, 3-dihydro-indazole-2-carboxylic acid amide derivatives as phospholipase inhibitors ELI LILLY AND COMPANY PATENT DIVISION (US) 2006-09-21 US claimed
WO-2006012642-A2 PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS EXELIXIS, INC. (US) 2006-02-02 WO claimed
EP-1610779-A1 3-OXO-1,3-DIHYDRO-INDAZOLE-2-CARBOXYLIC ACID AMIDE DERIVATIVES AS PHOSPHOLIPASE INHIBITORS ELI LILLY AND COMPANY (US) 2006-01-04 EP claimed
WO-2004093872-A1 3-OXO-1, 3-DIHYDRO-INDAZOLE-2-CARBOXYLIC ACID AMIDE DERIVATIVES AS PHOSPHOLIPASE INHIBITORS ELI LILLY AND COMPANY (US) 2004-11-04 WO claimed
US-20250171399-A1 PYRROLIDINE COMPOUNDS ELI LILLY AND COMPANY 2025-05-29 US disclosed
CN-118974013-A Pyrrolidine compounds 伊莱利利公司 2024-11-15 CN disclosed
US-12049461-B2 4,6-di- and 2,4,6-trisubstituted quinazoline derivatives useful for treating viral infections GILEAD SCIENCES, INC. (US) 2024-07-30 US disclosed
US-11820767-B2 Benzyl amine-containing heterocyclic compounds and compositions useful against mycobacterial infection UNIVERSITY OF NOTRE DAME DU LAC (US) 2023-11-21 US disclosed
US-11820767-B2 Benzyl amine-containing heterocyclic compounds and compositions useful against mycobacterial infection UNIVERSITY OF NOTRE DAME DU LAC (US) 2023-11-21 US disclosed
EP-3452477-B1 ADENINE DERIVATIVES AS PROTEIN KINASE INHIBITORS B C I PHARMA (BE) 2023-09-13 EP disclosed
CN-1227560-A Thienopyrimidines MERCK PATENT GMBH (DE) 1999-09-01 CN disclosed
EP-0934321-A1 THIENOPYRIMIDINE WITH PHOSPHODIESTERASE V INHIBITING EFFECT MERCK PATENT GmbH (DE) 1999-08-11 EP disclosed
EP-0920431-A1 THIENOPYRIMIDINES MERCK PATENT GmbH (DE) 1999-06-09 EP disclosed
WO-1998017668-A1 THIENOPYRIMIDINE WITH PHOSPHODIESTERASE V INHIBITING EFFECT MERCK PATENT GMBH (DE) 1998-04-30 WO disclosed
WO-1998006722-A1 THIENOPYRIMIDINES MERCK PATENT GMBH (DE) 1998-02-19 WO disclosed
WO-1996029073-A1 NODULISPORIC ACID DERIVATIVES MERCK & CO., INC. (US) 1996-09-26 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 (4 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-11820767-B2 Benzyl amine-containing heterocyclic compounds and compositions useful against mycobacterial infection BET1, BRD4, BRD3 CD274 3278/4885TAAR1 816/4885CYP2D6 1138/4885
US-12049461-B2 4,6-di- and 2,4,6-trisubstituted quinazoline derivatives useful for treating viral infections NR3C1, NR3C2, NR4A1 CD274 3833/4885TAAR1 319/4885CYP2D6 807/4885
US-20060211755-A1 3-oxo-1, 3-dihydro-indazole-2-carboxylic acid amide derivatives as phospholipase inhibitors C5AR2, C3AR1, C5AR1 CD274 4253/4885TAAR1 555/4885CYP2D6 1323/4885
US-20250171399-A1 PYRROLIDINE COMPOUNDS SDHA, GMPS, SDHB CD274 1365/4885TAAR1 4654/4885CYP2D6 8/4885

“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.