SCHEMBL3223103

SCHEMBL3223103

O=C(NCCCc1ccccc1)c1ccc(N2CCC3(C2)OCc2ccccc23)nn1

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SCD O00767 8/20 0.50
OPRL1 P41146 4/20 0.47
DCTPP1 Q9H773 1/20 0.44
OPRM1 P35372 1/20 0.43
OPRK1 P41145 1/20 0.43
NAMPT P43490 1/20 0.41
AVPR1A P37288 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
SCHEMBL3223098 1.00 SCD (0.50) SCDOPRL1DCTPP1OPRM1OPRK1
SCHEMBL3216605 0.85 SCD (0.47) SCDOPRL1AVPR1A
SCHEMBL3216610 0.85 SCD (0.47) SCDOPRL1AVPR1A
SCHEMBL3226404 0.84 SCD (0.49) SCDOPRL1AVPR1A
SCHEMBL3226395 0.84 SCD (0.49) SCDOPRL1AVPR1A
SCHEMBL3222261 0.82 AVPR1A (0.46) SCDAVPR1A
SCHEMBL3222255 0.82 AVPR1A (0.46) SCDAVPR1A
SCHEMBL3223783 0.82 SCD (0.47) SCDOPRL1AVPR1A
SCHEMBL3223788 0.82 SCD (0.47) SCDOPRL1AVPR1A
SCHEMBL3220076 0.79 AVPR1A (0.46) SCDAVPR1A

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 1/4885OPRL1 2318/4885DCTPP1 4241/4885

“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.