SCHEMBL70788

SCHEMBL70788

O=C(NCC(=O)N1CCC(Nc2ccccc2Cl)CC1)c1cc(-c2cccc(F)c2)[nH]n1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.40
SCD O00767 3/20 0.39
EPHX2 P34913 1/20 0.38
KCNH2 Q12809 2/20 0.37
KDM5A P29375 1/20 0.37
P2RY12 Q9H244 1/20 0.37
PAK1 Q13153 1/20 0.37
DYRK1A Q13627 1/20 0.37
MLNR O43193 4/20 0.36
MAPK1 P28482 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CYP3A4 P08684 2/20 0.36
CYP2D6 P10635 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
SCHEMBL29384497 1.00 KMT2A (0.40) KMT2ASCDEPHX2KCNH2KDM5A
SCHEMBL70832 0.92 SCD (0.43) KMT2ASCDEPHX2KDM5AP2RY12
SCHEMBL29385018 0.91 KMT2A (0.40) KMT2ASCDEPHX2KDM5AP2RY12
SCHEMBL68601 0.91 KMT2A (0.40) KMT2ASCDEPHX2KDM5AP2RY12
SCHEMBL29384702 0.87 KMT2A (0.41) KMT2ASCDEPHX2KDM5AP2RY12
SCHEMBL69476 0.87 KMT2A (0.41) KMT2ASCDEPHX2KDM5AP2RY12
SCHEMBL68350 0.87 KMT2A (0.41) KMT2ASCDEPHX2KDM5APAK1
SCHEMBL29385005 0.87 KMT2A (0.41) KMT2ASCDEPHX2KDM5APAK1
SCHEMBL92215 0.86 CYP2D6 (0.39) KMT2ASCDEPHX2P2RY12CYP2D6
SCHEMBL69761 0.85 SCD (0.42) KMT2ASCDKDM5AP2RY12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2268143-A2 NOVEL PIPERIDINE DERIVATIVES AS INHIBITORS OF STEAROYL-COA DESATURASE Forest Laboratories Holdings Limited (BM) 2011-01-05 EP claimed
US-8129376-B2 Piperidine derivatives as inhibitors of stearoyl-CoA desaturase AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2012-03-06 US disclosed
US-8129376-B2 Piperidine derivatives as inhibitors of stearoyl-CoA desaturase AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2012-03-06 US disclosed
EP-2268143-A2 NOVEL PIPERIDINE DERIVATIVES AS INHIBITORS OF STEAROYL-COA DESATURASE Forest Laboratories Holdings Limited (BM) 2011-01-05 EP disclosed
WO-2009117676-A2 NOVEL PIPERIDINE DERIVATIVES AS INHIBITORS OF STEAROYL-COA DESATURASE FOREST LABORATORIES HOLDINGS LIMITED (BM) 2009-09-24 WO disclosed
US-20090239810-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-CoA DESATURASE FOREST LABORATORIES HOLDINGS LIMITED (BM) 2009-09-24 US disclosed
US-20090239810-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-CoA DESATURASE FOREST LABORATORIES HOLDINGS LIMITED (BM) 2009-09-24 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 (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-20090239810-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-CoA DESATURASE SCD, SCD5, FADS2 KMT2A 1352/4885SCD 1/4885EPHX2 1023/4885

“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.