SCHEMBL92480

SCHEMBL92480

O=C(NCC(=O)N1CCC(Oc2cc(F)cc(CF)c2)CC1)c1cc(-c2ccccc2)[nH]n1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SCD O00767 5/20 0.40
P2RY12 Q9H244 4/20 0.37
BCL9 O00512 1/20 0.37
CTNNB1 P35222 1/20 0.37
SCD5 Q86SK9 1/20 0.37
CNR1 P21554 1/20 0.36
MLNR O43193 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CYP3A4 P08684 1/20 0.35
TTK P33981 1/20 0.35
KCNH2 Q12809 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
SCHEMBL69952 0.88 SCD (0.42) SCDP2RY12BCL9CTNNB1
SCHEMBL69386 0.88 SCD (0.41) SCDP2RY12SCD5SMN1; SMN2CYP3A4
SCHEMBL70664 0.86 SCD (0.46) SCDP2RY12SCD5SMN1; SMN2CYP3A4
SCHEMBL91514 0.85 SCD (0.38) SCDP2RY12SCD5CNR1SMN1; SMN2
SCHEMBL70545 0.83 SCD (0.45) SCDP2RY12
SCHEMBL69558 0.82 EPHX2 (0.47) SCDP2RY12SCD5SMN1; SMN2
SCHEMBL29385670 0.82 EPHX2 (0.47) SCDP2RY12SCD5SMN1; SMN2
SCHEMBL69931 0.82 EPHX2 (0.47) SCDP2RY12SCD5CNR1KCNH2
SCHEMBL70186 0.82 SCD (0.42) SCDP2RY12SCD5SMN1; SMN2
SCHEMBL70477 0.82 SCD (0.46) SCDP2RY12

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 1/4885P2RY12 3918/4885BCL9 3788/4885

“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.