SCHEMBL7283631

SCHEMBL7283631

COc1ccc(-c2ccc(C#N)cc2)c(C)c1C

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ KDM1A O60341 1/20 0.46
▸ AR P10275 3/20 0.43
▸ CYP1A1 P04798 1/20 0.43
▸ CYP1B1 Q16678 1/20 0.43
▸ CYP11B2 P19099 2/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ CYP2A6 P11509 1/20 0.41
▸ KIT P10721 1/20 0.40
▸ ACLY P53396 1/20 0.40
▸ FYN P06241 1/20 0.40
▸ MAPKAPK2 P49137 1/20 0.39
▸ CHEK1 O14757 1/20 0.39
▸ CA12 O43570 1/20 0.38
▸ CA1 P00915 1/20 0.38
▸ CA2 P00918 1/20 0.38
▸ CA9 Q16790 1/20 0.38

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
SCHEMBL16806004 0.85 KDM1A (0.43) KDM1AARCYP1A1CYP1B1CYP11B2
SCHEMBL14499513 0.85 KDM1A (0.43) KDM1AARCYP1A1CYP1B1CYP11B2
SCHEMBL13802630 0.85 FYN (0.47) KDM1AARCYP11B2ALDH1A1CYP2A6
SCHEMBL4600487 0.82 ERN1 (0.43) KDM1AARCYP1A1CYP1B1CYP11B2
SCHEMBL28363376 0.79 KDM1A (0.46) KDM1AARCYP1A1CYP1B1CYP11B2
SCHEMBL17239835 0.78 CHEK1 (0.51) KDM1AARCYP1A1CYP1B1CYP11B2
SCHEMBL24747126 0.76 SQOR (0.44) CYP1A1CYP1B1ALDH1A1CYP2A6CA12
SCHEMBL15499138 0.76 CYP1A1 (0.46) KDM1AARCYP1A1CYP1B1CYP11B2
SCHEMBL8124813 0.75 CYP11B2 (0.44) KDM1ACYP11B2ALDH1A1CYP2A6CA12
SCHEMBL1436484 0.75 FYN (0.56) KDM1AARACLYFYN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070149570-A1 Piperidine derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-06-28 — — US disclosed
EP-0483667-B1 Cyclic imino derivatives, process for their preparation and drugs containing them THOMAE GMBH DR K (DE) 1998-02-04 — — EP disclosed
US-5591769-A PYRROLIDINE DERIVATIVES; ANTICOAGULANTS KARL THOMAE GMBH (DE) 1997-01-07 — — US disclosed
US-5541343-A ANTIAGGLOMERANTS FOR CELLS OR ANTICOAGULANTS KARL THOMAE GMBH (DE) 1996-07-30 — — US disclosed
EP-0483667-A2 Cyclic imino derivatives, process for their preparation and drugs containing them Dr. Karl Thomae GmbH (DE) 1992-05-06 — — 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 (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-20070149570-A1 Piperidine derivative and use thereof TACR1, OPRL1, TRPV1 KDM1A 2544/4885AR 31/4885CYP1A1 1342/4885

“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.

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