SCHEMBL227232

SCHEMBL227232

BrC1=Cc2ccccc2CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.46
CYP11B1 P15538 2/20 0.42
CYP11B2 P19099 2/20 0.42
CYP19A1 P11511 1/20 0.42
NISCH Q9Y2I1 1/20 0.41
GPR84 Q9NQS5 1/20 0.39
BCHE P06276 1/20 0.38
ACHE P22303 1/20 0.38
MAOB P27338 2/20 0.38
PTGS2 P35354 1/20 0.38
HTR1A P08908 1/20 0.38
DRD2 P14416 1/20 0.38
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38
HTR7 P34969 1/20 0.38
HRH1 P35367 1/20 0.38
DRD3 P35462 1/20 0.38
HTR2B P41595 1/20 0.38
ADRA2A P08913 1/20 0.37
TSHR P16473 1/20 0.36

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
SCHEMBL4315755 0.86 TSHR (0.44) KDM1ACYP11B1CYP11B2CYP19A1NISCH
SCHEMBL1578071 0.78 MAOA (0.42) KDM1ACYP11B1CYP11B2GPR84ACHE
SCHEMBL29714906 0.78 MAOA (0.42) KDM1ACYP11B1CYP11B2GPR84ACHE
SCHEMBL29714904 0.78 MAOA (0.42) KDM1ACYP11B1CYP11B2GPR84ACHE
SCHEMBL24386545 0.71 KDM1A (0.46) KDM1ACYP11B1CYP11B2CYP19A1NISCH
SCHEMBL11025756 0.71 KDM1A (0.46) KDM1ACYP11B1CYP11B2CYP19A1NISCH
SCHEMBL5029738 0.71 KDM1A (0.46) KDM1ACYP11B1CYP11B2CYP19A1NISCH
SCHEMBL4623181 0.71 KDM1A (0.50) KDM1ACYP11B1CYP11B2CYP19A1NISCH
SCHEMBL13445302 0.71 KDM1A (0.46) KDM1ACYP11B1CYP11B2CYP19A1NISCH
SCHEMBL10419760 0.71 KDM1A (0.46) KDM1ACYP11B1CYP11B2CYP19A1NISCH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108137508-A 5-HT2CReceptor agonists and compositions and methods of use 艾尼纳制药公司 2018-06-08 CN disclosed
CN-103687595-B Novel compounds as diacylglycerol acyltransferase inhibitors 葛兰素史密斯克莱知识产权(第2 号)有限公司 2017-05-24 CN disclosed
EP-1853261-B1 SELECTIVE INHIBITORS OF HUMAN CORTICOSTEROID SYNTHASES UNIV SAARLAND (DE) 2017-01-11 EP disclosed
US-9271963-B2 Selective inhibitors of human corticosteroid synthases UNIVERSITAT DES SAARLANDES (DE) 2016-03-01 US disclosed
US-9271963-B2 Selective inhibitors of human corticosteroid synthases UNIVERSITAT DES SAARLANDES (DE) 2016-03-01 US disclosed
EP-1577288-B1 Selective estrogen receptor modulators EISAI R&D MAN CO LTD (JP) 2014-07-23 EP disclosed
US-8399520-B2 Selective estrogen receptor modulator EISAI R&D MANAGEMENT CO., LTD. (JP) 2013-03-19 US disclosed
US-20120004315-A1 Selective Estrogen Receptor Modulator RADIUS HEALTH, INC. 2012-01-05 US disclosed
US-7960412-B2 Selective estrogen receptor modulator EISAI R&D MANAGEMENT CO., LTD. (JP) 2011-06-14 US disclosed
US-20090325930-A1 SELECTIVE ESTROGEN RECEPTOR MODULATOR RADIUS HEALTH, INC. 2009-12-31 US disclosed
EP-1506190-A1 (IMIDAZOL-1-YL-METHYL)-PYRIDAZINE AS NMDA RECEPTOR BLOCKER F. HOFFMANN-LA ROCHE AG (CH) 2005-02-16 EP disclosed
CN-1578662-A Pyridine derivatives as nmda-receptor subtype blockers HOFFMANN LA ROCHE (CH) 2005-02-09 CN disclosed
EP-1443926-A1 PYRIDINE DERIVATIVES AS NMDA-RECEPTOR SUBTYPE BLOCKERS F. HOFFMANN-LA ROCHE AG (CH) 2004-08-11 EP disclosed
US-20040068118-A1 Conjugated aromatic compounds with a pyridine substituent ALANINE ALEXANDER (FR) 2004-04-08 US disclosed
US-20030229096-A1 Substituted imidazol-pyridazine derivatives EVOTEC INTERNATIONAL GMBH (DE) 2003-12-11 US disclosed
WO-2003097637-A1 (IMIDAZOL-1-YL-METHYL)-PYRIDAZINE AS NMDA RECEPTOR BLOCKER F. HOFFMANN-LA ROCHE AG (CH) 2003-11-27 WO disclosed
US-20030144525-A1 Conjugated aromatic compounds with a pyridine substituent HOFFMANN-LA ROCHE INC. 2003-07-31 US disclosed
WO-2003037333-A1 PYRIDINE DERIVATIVES AS NMDA-RECEPTOR SUBTYPE BLOCKERS F. HOFFMANN-LA ROCHE AG (CH) 2003-05-08 WO disclosed
EP-0871612-B1 FUSED ISOINDOLONES AS INHIBITORS OF PROTEIN KINASE C CEPHALON INC (US) 2003-03-12 EP disclosed
US-5808060-A Fused isoindolones CEPHALON, INC. (US) 1998-09-15 US 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 (5 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-20040068118-A1 Conjugated aromatic compounds with a pyridine substituent GRIN2B, GRIN1, GRIN2C KDM1A 899/4885CYP11B1 359/4885CYP11B2 317/4885
US-20090325930-A1 SELECTIVE ESTROGEN RECEPTOR MODULATOR ESR1, GPER1, ESR2 KDM1A 286/4885CYP11B1 195/4885CYP11B2 363/4885
US-20030144525-A1 Conjugated aromatic compounds with a pyridine substituent GRIN2B, GRIN1, GRIN2C KDM1A 899/4885CYP11B1 359/4885CYP11B2 317/4885
US-20120004315-A1 Selective Estrogen Receptor Modulator ESR1, GPER1, ESR2 KDM1A 434/4885CYP11B1 214/4885CYP11B2 378/4885
US-20030229096-A1 Substituted imidazol-pyridazine derivatives GRIN2B, GRIN2A, GRIN2C KDM1A 2058/4885CYP11B1 323/4885CYP11B2 340/4885

“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.