SCHEMBL91514

SCHEMBL91514

O=C(NCC(=O)N1CCC(Oc2ccc(F)c(CF)c2)CC1)c1cc(-c2ccccc2)[nH]n1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SCD O00767 5/20 0.38
CYP3A4 P08684 1/20 0.38
TTK P33981 1/20 0.38
P2RY12 Q9H244 4/20 0.37
SCD5 Q86SK9 1/20 0.37
EPHX2 P34913 2/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2J2 P51589 1/20 0.37
KMT2A Q03164 2/20 0.36
POLB P06746 1/20 0.36
MEN1 O00255 1/20 0.36
KCNH2 Q12809 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HRH1 P35367 1/20 0.36
CCR3 P51677 1/20 0.36
CNR1 P21554 1/20 0.35
MAPT P10636 1/20 0.35
MCHR1 Q99705 1/20 0.35

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
SCHEMBL70477 0.88 SCD (0.46) SCDP2RY12EPHX2
SCHEMBL29385049 0.88 SCD (0.46) SCDP2RY12EPHX2
SCHEMBL69386 0.88 SCD (0.41) SCDCYP3A4TTKP2RY12SCD5
SCHEMBL92480 0.85 SCD (0.40) SCDCYP3A4TTKP2RY12SCD5
SCHEMBL69931 0.85 EPHX2 (0.47) SCDP2RY12SCD5EPHX2CYP2C9
SCHEMBL70545 0.84 SCD (0.45) SCDP2RY12
SCHEMBL70664 0.84 SCD (0.46) SCDCYP3A4TTKP2RY12SCD5
SCHEMBL70186 0.83 SCD (0.42) SCDP2RY12SCD5EPHX2KMT2A
SCHEMBL69558 0.83 EPHX2 (0.47) SCDP2RY12SCD5EPHX2KMT2A
SCHEMBL29385670 0.83 EPHX2 (0.47) SCDP2RY12SCD5EPHX2KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8129376-B2 Piperidine derivatives as inhibitors of stearoyl-CoA desaturase AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2012-03-06 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 SCD 1/4885CYP3A4 2225/4885TTK 3251/4885

“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.