SCHEMBL3233141

SCHEMBL3233141

CN(C)c1nsc(-c2ccc(N3CCC4(C=Cc5ccccc54)CC3)nn2)n1

nearest known ligand 0.42

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SCD O00767 4/20 0.42
OXTR P30559 1/20 0.36
MCHR2 Q969V1 1/20 0.35
GRM2 Q14416 1/20 0.34

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
SCHEMBL3233130 1.00 SCD (0.42) SCDOXTRMCHR2GRM2
SCHEMBL3217165 0.88 SCD (0.54) SCDOXTRGRM2
SCHEMBL3234148 0.83 SCD (0.43) SCDOXTRMCHR2GRM2
SCHEMBL3224668 0.79 SCD (0.39) SCDOXTRGRM2
SCHEMBL3221188 0.77 NPC1 (0.46) SCDOXTR
SCHEMBL3232971 0.74 SCD (0.46) SCDOXTR
SCHEMBL3224717 0.73 SCD (0.42) SCDOXTR
SCHEMBL3233550 0.70 SCD (0.51) SCD
SCHEMBL3223344 0.69 SCD (0.41) SCDOXTRMCHR2GRM2
SCHEMBL3223331 0.69 SCD (0.41) SCDOXTRMCHR2GRM2

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-8575167-B2 Spiro compounds having stearoyl-CoA desaturase action TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-11-05 US disclosed
US-20100069351-A1 SPIRO COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-03-18 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-20100069351-A1 SPIRO COMPOUND AND USE THEREOF SCD, SPR, SCD5 SCD 1/4885OXTR 1108/4885MCHR2 4311/4885

“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.