SCHEMBL2324142

SCHEMBL2324142

N#Cc1ccc(C2(CCF)CCC2)cc1

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 6/20 0.39
TRPA1 O75762 2/20 0.38
LOXL2 Q9Y4K0 1/20 0.37
CYP19A1 P11511 2/20 0.37
ICMT O60725 1/20 0.37
SLC6A4 P31645 5/20 0.35
DPP4 P27487 1/20 0.34
CYP2A6 P11509 1/20 0.33

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
SCHEMBL9552831 0.83 SLC6A3 (0.41) SLC6A3CYP19A1SLC6A4
SCHEMBL9553615 0.79 SLC6A3 (0.42) SLC6A3CYP19A1SLC6A4
SCHEMBL4820101 0.78 CYP2A6 (0.40) SLC6A3CYP19A1ICMTSLC6A4CYP2A6
SCHEMBL2329757 0.78 MMP2 (0.43) ICMT
SCHEMBL2321584 0.77 SLC6A3 (0.46) SLC6A3SLC6A4DPP4
SCHEMBL14861187 0.76 CNR2 (0.43) SLC6A3CYP19A1SLC6A4CYP2A6
SCHEMBL16341351 0.75 MMP2 (0.41)
SCHEMBL25801663 0.75 CYP2A6 (0.44) SLC6A3LOXL2CYP19A1ICMTSLC6A4
SCHEMBL2327941 0.75 KDM1A (0.43) TRPA1LOXL2CYP19A1ICMTCYP2A6
SCHEMBL10606455 0.74 SLC6A3 (0.43) SLC6A3CYP19A1SLC6A4CYP2A6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2356113-B1 HETEROCYCLICALLY SUBSTITUTED ARYL COMPOUNDS AS HIF INHIBITORS BAYER IP GMBH (DE) 2015-01-07 EP disclosed
EP-2356113-B1 HETEROCYCLICALLY SUBSTITUTED ARYL COMPOUNDS AS HIF INHIBITORS BAYER IP GMBH (DE) 2015-01-07 EP disclosed
US-20130196964-A1 HETEROCYCLICALLY SUBSTITUTED ARYL COMPOUNDS AS HIF INHIBITORS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2013-08-01 US disclosed
US-20130196964-A1 HETEROCYCLICALLY SUBSTITUTED ARYL COMPOUNDS AS HIF INHIBITORS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2013-08-01 US disclosed
CN-102282143-A Heterocyclically substituted aryl compounds and application thereof 2011-12-14 CN disclosed
EP-2356113-A1 HETEROCYCLICALLY SUBSTITUTED ARYL COMPOUNDS AS HIF INHIBITORS Bayer Schering Pharma Aktiengesellschaft (DE) 2011-08-17 EP disclosed
WO-2010054763-A1 HETEROCYCLICALLY SUBSTITUTED ARYL COMPOUNDS AS HIF INHIBITORS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-05-20 WO disclosed
WO-2010054763-A1 HETEROCYCLICALLY SUBSTITUTED ARYL COMPOUNDS AS HIF INHIBITORS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-05-20 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 (1 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-20130196964-A1 HETEROCYCLICALLY SUBSTITUTED ARYL COMPOUNDS AS HIF INHIBITORS HIF1AN, HIF1A, VHL SLC6A3 4000/4885TRPA1 4277/4885LOXL2 530/4885

“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.