SCHEMBL2084569

SCHEMBL2084569

O=C1[C@@H](Cc2cccnc2)NC(=O)C2(CCN(Cc3ccc(Cl)cc3)CC2)N1C1CCCC1

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CXCR3 P49682 1/20 0.56
CCR5 P51681 11/20 0.49
OPRM1 P35372 1/20 0.45
OPRD1 P41143 1/20 0.45
OPRK1 P41145 1/20 0.45
OPRL1 P41146 1/20 0.45
CHRM2 P08172 2/20 0.43
CHRM3 P20309 2/20 0.43
HSD11B1 P28845 4/20 0.40
CHRNB2 P17787 1/20 0.39
CHRNA4 P43681 1/20 0.39

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
SCHEMBL2086001 0.98 CXCR3 (0.56) CXCR3CCR5OPRM1OPRD1OPRK1
SCHEMBL2087058 0.89 CXCR3 (0.69) CXCR3CCR5CHRM2CHRM3
SCHEMBL2084575 0.88 CXCR3 (0.68) CXCR3CCR5CHRM2CHRM3
SCHEMBL2087242 0.87 CXCR3 (0.69) CXCR3CCR5CHRM2CHRM3
SCHEMBL2087910 0.87 CXCR3 (0.69) CXCR3CCR5CHRM2CHRM3
SCHEMBL2084202 0.85 CXCR3 (0.62) CXCR3CCR5OPRM1OPRD1OPRK1
SCHEMBL2084654 0.84 CXCR3 (0.80) CXCR3CCR5
SCHEMBL2084482 0.83 CXCR3 (0.72) CXCR3CCR5OPRM1OPRD1OPRK1
SCHEMBL2085490 0.78 TNF (0.57) CXCR3OPRM1
SCHEMBL2086245 0.77 TNF (0.57) CXCR3OPRM1

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 4 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 claimed
EP-1889622-A1 SPIROPIPERIDINE COMPOUND AND MEDICINAL USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2008-02-20 EP claimed
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.