SCHEMBL3222053

SCHEMBL3222053

Cc1nsc(-c2ccc(N3CCC4(C3)OCc3ccccc34)nn2)n1

nearest known ligand 0.50

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SCD O00767 3/20 0.50
AVPR1A P37288 11/20 0.41
OPRD1 P41143 1/20 0.41

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
SCHEMBL3222727 0.94 SCD (0.49) SCDAVPR1AOPRD1
SCHEMBL3232416 0.94 SCD (0.54) SCDAVPR1AOPRD1
SCHEMBL3219626 0.92 SCD (0.51) SCDAVPR1AOPRD1
SCHEMBL3219618 0.83 SCD (0.47) SCDAVPR1AOPRD1
SCHEMBL3224831 0.83 SCD (0.50) SCDAVPR1AOPRD1
SCHEMBL3217050 0.80 OPRD1 (0.41) SCDAVPR1AOPRD1
SCHEMBL3224546 0.77 SCD (0.52) SCD
SCHEMBL3233088 0.77 SCD (0.58) SCD
SCHEMBL3229428 0.76 SCD (0.47) SCDAVPR1A
SCHEMBL3224145 0.74 SCD (0.56) SCD

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 1/4885AVPR1A 1456/4885OPRD1 1267/4885

“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.