SCHEMBL3229221

SCHEMBL3229221

Cc1noc(-c2ccc(N3CCC4(CC3)C(=O)N(C)c3ccccc34)nn2)n1

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SCD O00767 12/20 0.45
OPRM1 P35372 1/20 0.41
OPRK1 P41145 1/20 0.41
OPRL1 P41146 1/20 0.41
HCRTR1 O43613 2/20 0.37
HCRTR2 O43614 2/20 0.37

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
SCHEMBL3228484 0.94 SCD (0.46) SCDOPRM1OPRK1OPRL1HCRTR1
SCHEMBL3223397 0.79 NPY5R (0.50) SCD
SCHEMBL3220824 0.78 SCD (0.45) SCDOPRM1OPRK1OPRL1
SCHEMBL3226520 0.77 DGAT1 (0.44) SCD
SCHEMBL3223079 0.76 SCD (0.48) SCD
SCHEMBL3232971 0.76 SCD (0.46) SCD
SCHEMBL3220004 0.76 NPY5R (0.46) SCD
SCHEMBL3221535 0.75 SCD (0.66) SCDHCRTR1HCRTR2
SCHEMBL3224120 0.74 SCD (0.45) SCDHCRTR1HCRTR2
SCHEMBL3229013 0.74 HCRTR1 (0.44) SCDHCRTR1HCRTR2

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 1/4885OPRM1 2864/4885OPRK1 2582/4885

“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.