SCHEMBL5987112

SCHEMBL5987112

COc1cc2occc2cc1Br

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 4/20 0.45
HSD17B10 Q99714 3/20 0.45
CASP1 P29466 1/20 0.45
CASP7 P55210 1/20 0.45
HTR2A P28223 2/20 0.44
HTR2C P28335 1/20 0.44
AXL P30530 1/20 0.41
KDM4E B2RXH2 3/20 0.41
CYP2C9 P11712 2/20 0.41
MCL1 Q07820 2/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2A6 P11509 1/20 0.41
NFKB1 P19838 1/20 0.41
MAOA P21397 1/20 0.41
ACHE P22303 1/20 0.41
CYP2C19 P33261 1/20 0.41
GPR35 Q9HC97 1/20 0.40
ALDH1A1 P00352 3/20 0.40
PGR P06401 1/20 0.40
MAPT P10636 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
SCHEMBL20563591 0.93 CYP3A4 (0.42) CYP3A4HSD17B10CASP1CASP7HTR2A
SCHEMBL4580168 0.84 MCL1 (0.55) CYP3A4HSD17B10CASP1CASP7KDM4E
SCHEMBL12546789 0.79 CYP3A4 (0.43) CYP3A4HSD17B10CASP1CASP7KDM4E
SCHEMBL29286601 0.78 MCL1 (0.60) CYP3A4HSD17B10CASP1CASP7KDM4E
SCHEMBL29329001 0.78 CYP2A6 (0.45) CYP3A4HSD17B10KDM4ECYP2C9CYP2D6
SCHEMBL30018039 0.77 MCL1 (0.47) CYP3A4HSD17B10CASP1CASP7KDM4E
SCHEMBL19753579 0.75 CYP3A4 (0.44) CYP3A4HSD17B10CASP1CASP7HTR2A
SCHEMBL21167302 0.75 CA12 (0.43) CYP3A4HSD17B10CASP1CASP7KDM4E
SCHEMBL28917315 0.75 MCL1 (0.74) CYP3A4HSD17B10CASP1CASP7KDM4E
SCHEMBL28917276 0.75 MCL1 (0.74) CYP3A4HSD17B10CASP1CASP7KDM4E

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 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11839613-B2 Pyrimidine derivatives as PGE2 receptor modulators IDORSIA PHARMACEUTICALS LTD (CH) 2023-12-12 US disclosed
CN-114874251-A Silicon center chiral silanol and synthetic method thereof 南方科技大学 2022-08-09 CN disclosed
EP-3625228-B1 PYRIMIDINE DERIVATIVES AS PGE2 RECEPTOR MODULATORS IDORSIA PHARMACEUTICALS LTD (CH) 2021-07-07 EP disclosed
US-20210113559-A1 PYRIMIDINE DERIVATIVES AS PGE2 RECEPTOR MODULATORS IDORSIA PHARMACEUTICALS LTD (CH) 2021-04-22 US disclosed
EP-3625228-A1 PYRIMIDINE DERIVATIVES AS PGE2 RECEPTOR MODULATORS Idorsia Pharmaceuticals Ltd (CH) 2020-03-25 EP disclosed
CN-110612299-A Pyrimidine derivatives as PGE2 receptor modulators 爱杜西亚药品有限公司 2019-12-24 CN disclosed
WO-2018210988-A1 PYRIMIDINE DERIVATIVES AS PGE2 RECEPTOR MODULATORS IDORSIA PHARMACEUTICALS LTD (CH) 2018-11-22 WO disclosed
US-7045545-B1 Aminoalkylbenzofurans as serotonin (5-HT(2c)) agonists ELI LILLY AND COMPANY (US) 2006-05-16 US disclosed
US-6967201-B1 for increasing activation of the 5-HT2C receptor in mammals; treatment of depression, obesity, bulimia, premenstrual syndrome, alcoholism, tobacco abuse, panic disorder ELI LILLY AND COMPANY (US) 2005-11-22 US disclosed
US-6881733-B1 Serotonergic benzofurans ELI LILLY AND COMPANY (US) 2005-04-19 US disclosed
EP-1204659-B1 SEROTONERGIC BENZOFURANS LILLY CO ELI (US) 2003-11-26 EP disclosed
EP-1204654-B1 BENZOFURYLPIPERAZINES: 5-HT2C SEROTONIN RECEPTOR AGONISTS LILLY CO ELI (US) 2003-07-23 EP disclosed
EP-1204659-A2 SEROTONERGIC BENZOFURANS ELI LILLY AND COMPANY (US) 2002-05-15 EP disclosed
EP-1204654-A1 BENZOFURYLPIPERAZINES AND BENZOFURYLHOMOPIPERAZINES: SEROTONIN AGONISTS ELI LILLY AND COMPANY (US) 2002-05-15 EP disclosed
EP-1149085-A1 AMINOALKYLBENZOFURANS AS SEROTONIN (5-HT(2C)) AGONISTS ELI LILLY AND COMPANY (US) 2001-10-31 EP disclosed
WO-2001009111-A1 BENZOFURYLPIPERAZINES AND BENZOFURYLHOMOPIPERAZINES: SEROTONIN AGONISTS ELI LILLY AND COMPANY (US) 2001-02-08 WO disclosed
WO-2001009122-A2 SEROTONERGIC BENZOFURANS ELI LILLY AND COMPANY (US) 2001-02-08 WO disclosed
WO-2000044737-A1 AMINOALKYLBENZOFURANS AS SEROTONIN (5-HT(2C)) AGONISTS ELI LILLY AND COMPANY (US) 2000-08-03 WO disclosed
US-4259338-A Benzofuranyl-tetrahydropyridines and -piperidines, their acid addition salts and antidepressant preparations thereof CIBA-GEIGY CORPORATION (US) 1981-03-31 US disclosed
EP-0006524-A1 Tetrahydropyridine and tetrahydropiperidine derivatives, their acid addition salts, processes for their preparation and pharmaceutical compositions containing them CIBA-GEIGY AG (CH) 1980-01-09 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 (2 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-11839613-B2 Pyrimidine derivatives as PGE2 receptor modulators PTGER1, PTGER4, PTGER2 CYP3A4 144/4885HSD17B10 2297/4885CASP1 2228/4885
US-20210113559-A1 PYRIMIDINE DERIVATIVES AS PGE2 RECEPTOR MODULATORS PTGER1, PTGER4, PTGER2 CYP3A4 144/4885HSD17B10 2297/4885CASP1 2228/4885

“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.