SCHEMBL2084482

SCHEMBL2084482

O=C1C(Cc2ccccc2)NC(=O)C2(CCN(Cc3ccc(Cl)cc3)CC2)N1Cc1cccnc1

nearest known ligand 0.72

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CXCR3 P49682 1/20 0.72
CCR5 P51681 18/20 0.59
OPRM1 P35372 1/20 0.52
OPRD1 P41143 1/20 0.52
OPRK1 P41145 1/20 0.52
OPRL1 P41146 1/20 0.52

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
SCHEMBL2084654 0.88 CXCR3 (0.80) CXCR3CCR5
SCHEMBL2084202 0.88 CXCR3 (0.62) CXCR3CCR5OPRM1OPRD1OPRK1
SCHEMBL6612540 0.86 CCR5 (0.76) CXCR3CCR5
SCHEMBL2085434 0.85 CXCR3 (0.87) CXCR3CCR5
SCHEMBL6611953 0.84 CCR5 (0.83) CCR5
SCHEMBL2084666 0.84 CXCR3 (1.00) CXCR3CCR5
SCHEMBL2082357 0.84 CXCR3 (0.85) CXCR3CCR5
SCHEMBL2085325 0.83 CXCR3 (0.77) CXCR3CCR5
SCHEMBL2086775 0.83 CXCR3 (0.77) CXCR3CCR5
SCHEMBL2086001 0.83 CXCR3 (0.56) CXCR3CCR5OPRM1OPRD1OPRK1

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-20110052612-A1 SPIROPIPERIDINE COMPOUND AND MEDICINAL USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2011-03-03 US disclosed
EP-1889622-A1 SPIROPIPERIDINE COMPOUND AND MEDICINAL USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2008-02-20 EP 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-20110052612-A1 SPIROPIPERIDINE COMPOUND AND MEDICINAL USE THEREOF CXCR3, CFTR, CXCR1 CXCR3 1/4885CCR5 10/4885OPRM1 927/4885

“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.