SCHEMBL83670

SCHEMBL83670

[C-]#[N+]c1ccc(C)c(OC2CN(C(=O)CNC(=O)c3cc(-c4ccccc4)[nH]n3)C2)c1

nearest known ligand 0.37

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
P2RY12 Q9H244 14/20 0.37
RBP4 P02753 2/20 0.35
KCNH2 Q12809 1/20 0.33
MCHR1 Q99705 1/20 0.33
SMYD2 Q9NRG4 1/20 0.32

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
SCHEMBL68337 0.85 P2RY12 (0.37) P2RY12RBP4KCNH2MCHR1SMYD2
SCHEMBL70327 0.81 SCD (0.46)
SCHEMBL29384858 0.81 SCD (0.46)
SCHEMBL70650 0.78 TDP1 (0.45) P2RY12
SCHEMBL69756 0.76 IKBKB (0.43) P2RY12
SCHEMBL83343 0.74 MIF (0.38) P2RY12
SCHEMBL69059 0.74 EPHX2 (0.41)
SCHEMBL29381918 0.74 EPHX2 (0.41)
SCHEMBL29384277 0.74 SCD (0.48) P2RY12
SCHEMBL70356 0.74 SCD (0.48) P2RY12

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 P2RY12 3918/4885RBP4 1599/4885KCNH2 3781/4885

“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.