SCHEMBL2645798

SCHEMBL2645798

CC1(C)OB(c2cc(F)ccc2C#N)OC1(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LPL P06858 2/20 0.44
LIPG Q9Y5X9 2/20 0.44
ESR2 Q92731 1/20 0.33
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
TRPV4 Q9HBA0 1/20 0.33
CXCR2 P25025 1/20 0.32
CYP11B1 P15538 2/20 0.32
CYP11B2 P19099 2/20 0.32
GPR35 Q9HC97 1/20 0.32
AR P10275 1/20 0.31
IDO1 P14902 1/20 0.31
TDO2 P48775 1/20 0.31
DPP4 P27487 1/20 0.31
CYP1A2 P05177 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31

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
SCHEMBL29929462 1.00 LPL (0.44) LPLLIPGESR2MAOAMAOB
SCHEMBL2650777 0.87 LPL (0.44) LPLLIPGESR2CXCR2GPR35
SCHEMBL18230306 0.82 AR (0.34) LPLLIPGESR2CYP11B1CYP11B2
SCHEMBL26129832 0.82 ESR2 (0.33) LPLLIPGESR2ARALDH1A1
SCHEMBL13868347 0.81 ESR2 (0.35) LPLLIPGESR2
SCHEMBL18000582 0.81 KDM4E (0.44) LPLLIPGESR2CYP1A2KDM4E
SCHEMBL13183400 0.81 VCAM1 (0.38) ESR2MAOAMAOBTRPV4GPR35
SCHEMBL15057595 0.80 AR (0.38) AR
SCHEMBL21592307 0.80 LPL (0.39) LPLLIPGESR2TRPV4AR
SCHEMBL30905950 0.80 TRPV4 (0.35) LPLLIPGESR2TRPV4AR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12195490-B2 STRAD-binding agents and uses thereof THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2025-01-14 US disclosed
EP-4188551-B1 ARYL SUBSTITUTED PYRROLO-PYRIDINONES AND THERAPEUTIC USES THEREOF BAYER AG (DE) 2024-12-18 EP disclosed
US-12116369-B2 Substituted pyrazolo[1,5-a]pyrimidines as glucocerebrosidase activators Bial—R&D Investments, S.A. (PT) 2024-10-15 US disclosed
US-12059420-B2 Inhibitors of indoleamine 2,3-dioxygenase and methods of their use BRISTOL-MYERS SQUIBB COMPANY (US) 2024-08-13 US disclosed
US-20240239807-A1 SARS-COV2 MAIN PROTEASE INHIBITORS GILEAD SCIENCES, INC. 2024-07-18 US disclosed
US-12037324-B2 Biarylmethyl heterocycles BRISTOL-MYERS SQUIBB COMPANY (US) 2024-07-16 US disclosed
US-20240116946-A1 SARS-COV2 MAIN PROTEASE INHIBITORS GILEAD SCIENCES, INC. 2024-04-11 US disclosed
EP-3478672-B1 BIARYLMETHYL HETEROCYCLES UNIV MONTREAL (CA) 2024-04-10 EP disclosed
US-20230322767-A1 ARYL SUBSTITUTED PYRROLO-PYRIDINONES AND THERAPEUTIC USES THEREOF THE BROAD INSTITUTE, INC. 2023-10-12 US disclosed
EP-4188551-A1 ARYL SUBSTITUTED PYRROLO-PYRIDINONES AND THERAPEUTIC USES THEREOF Bayer Aktiengesellschaft (DE) 2023-06-07 EP disclosed
US-6969716-B2 5-phenyl[1,2,4]triazines as ligands for GABA-A α2/α3 receptors for treating anxiety or depression MERCK SHARP & DOHME LTD. 2005-11-29 US disclosed
US-6887885-B2 Imidazo[4,5-c]pyridin-4-one analogues as GABAA receptor ligands MERCK SHARP & DOHME LTD 2005-05-03 US disclosed
EP-1511748-A1 8-FLUORIMIDAZO(1,2-A)PYRIDINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME LTD. (GB) 2005-03-09 EP disclosed
US-20040192692-A1 5-Phenyl[1,2,4]triazines as ligands for GABA-A alpha2/alpha3 receptors for treating anxiety or depression MERCK SHARP & DOHME, LTD. (GB) 2004-09-30 US disclosed
WO-2004065388-A1 FLUOROIMIDAZOPYRIMIDINES AS GABA-A ALPHA 2/3 LIGANDS FOR DEPRESSION/ANXIETY MERCK SHARP & DOHME LIMITED (GB) 2004-08-05 WO disclosed
US-20040132767-A1 Imidazo[4,5-c]pyridin-4-one analogues as GABAA receptor ligands MERCK SHARP & DOHME LTD. (GB) 2004-07-08 US disclosed
US-20040092533-A1 Imidazo-pyrimidine derivatives as ligands for gaba receptors MERCK SHARP & DOHME LTD. (GB) 2004-05-13 US disclosed
EP-1383768-A1 IMIDAZO-PYRIMIDINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME LTD. (GB) 2004-01-28 EP disclosed
WO-2003099817-A1 8-FLUORIMIDAZO`1,2-A!PYRIDINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME LIMITED (GB) 2003-12-04 WO disclosed
WO-2002076983-A1 IMIDAZO-PYRIMIDINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME LIMITED (GB) 2002-10-03 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 (10 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-12116369-B2 Substituted pyrazolo[1,5-a]pyrimidines as glucocerebrosidase activators GBA1, GALC, GBA3 LPL 295/4885LIPG 1458/4885ESR2 4874/4885
US-20240116946-A1 SARS-COV2 MAIN PROTEASE INHIBITORS ACE2, TMPRSS2, ACE LPL 230/4885LIPG 232/4885ESR2 1915/4885
US-20040132767-A1 Imidazo[4,5-c]pyridin-4-one analogues as GABAA receptor ligands GABRA1, GABRA2, GABRA3 LPL 4628/4885LIPG 4870/4885ESR2 699/4885
US-12059420-B2 Inhibitors of indoleamine 2,3-dioxygenase and methods of their use IDO1, IDO2, INMT LPL 3958/4885LIPG 2381/4885ESR2 2527/4885
US-20040092533-A1 Imidazo-pyrimidine derivatives as ligands for gaba receptors GABRA3, GABRA1, GABRA4 LPL 4861/4885LIPG 4880/4885ESR2 1994/4885
US-20040192692-A1 5-Phenyl[1,2,4]triazines as ligands for GABA-A alpha2/alpha3 receptors for treating anxiety or depression GABRA1, GABRA5, GABRA2 LPL 4762/4885LIPG 4876/4885ESR2 713/4885
US-20240239807-A1 SARS-COV2 MAIN PROTEASE INHIBITORS ACE2, TMPRSS2, ACE LPL 230/4885LIPG 232/4885ESR2 1915/4885
US-20230322767-A1 ARYL SUBSTITUTED PYRROLO-PYRIDINONES AND THERAPEUTIC USES THEREOF PNPO, THPO, PAH LPL 1425/4885LIPG 1612/4885ESR2 2147/4885
US-12037324-B2 Biarylmethyl heterocycles ARRB1, ADRB2, ADRB1 LPL 3432/4885LIPG 2418/4885ESR2 212/4885
US-12195490-B2 STRAD-binding agents and uses thereof STRAP, STRA6, PLAUR LPL 1132/4885LIPG 180/4885ESR2 1845/4885

“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.