SCHEMBL3229036

SCHEMBL3229036

Cc1nsc(-c2ccc(N3CC4(C3)CN(c3ccccc3)C(=O)O4)nn2)n1

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SCD O00767 3/20 0.45
NPY5R Q15761 9/20 0.39
ADRA1A P35348 7/20 0.39
KCNH2 Q12809 4/20 0.39
OPRM1 P35372 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
DGAT1 O75907 1/20 0.35
SSTR5 P35346 3/20 0.35
GRM5 P41594 2/20 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
SCHEMBL3226254 0.93 NPY5R (0.45) SCDNPY5RADRA1AKCNH2OPRM1
SCHEMBL3222045 0.92 NPY5R (0.48) SCDNPY5RADRA1AKCNH2OPRM1
SCHEMBL3219732 0.91 SCD (0.43) SCDNPY5RADRA1AKCNH2OPRM1
SCHEMBL3230543 0.82 SCD (0.47) SCDNPY5RADRA1AKCNH2DGAT1
SCHEMBL3222120 0.81 SCD (0.47) SCDNPY5RADRA1AKCNH2OPRM1
SCHEMBL3226409 0.81 SIGMAR1 (0.46) SCDNPY5RADRA1AKCNH2OPRM1
SCHEMBL3232943 0.73 SCD (0.44) SCDADRA1ASIGMAR1
SCHEMBL3224874 0.72 SCD (0.43) SCD
SCHEMBL3224546 0.72 SCD (0.52) SCDADRA1ASIGMAR1
SCHEMBL3225247 0.71 SCD (0.48) SCDOPRM1

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 1/4885NPY5R 2775/4885ADRA1A 1688/4885

“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.