SCHEMBL2087058

SCHEMBL2087058

O=C1[C@@H](Cc2ccccc2)NC(=O)C2(CCN(Cc3ccc(Cl)cc3)CC2)N1C1CCCC1

nearest known ligand 0.69

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CXCR3 P49682 1/20 0.69
CCR5 P51681 17/20 0.51
CHRM2 P08172 1/20 0.48
CHRM3 P20309 1/20 0.48
ALDH1A1 P00352 1/20 0.47
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46

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
SCHEMBL2084575 0.99 CXCR3 (0.68) CXCR3CCR5CHRM2CHRM3ALDH1A1
SCHEMBL2087910 0.98 CXCR3 (0.69) CXCR3CCR5CHRM2CHRM3ALDH1A1
SCHEMBL2087242 0.98 CXCR3 (0.69) CXCR3CCR5CHRM2CHRM3ALDH1A1
SCHEMBL2084569 0.89 CXCR3 (0.56) CXCR3CCR5CHRM2CHRM3
SCHEMBL2086001 0.87 CXCR3 (0.56) CXCR3CCR5CHRM2CHRM3
SCHEMBL2085490 0.85 TNF (0.57) CXCR3CYP3A4CYP2D6CYP2C9
SCHEMBL6612967 0.85 CXCR3 (0.59) CXCR3CCR5CHRM2CHRM3CYP3A4
SCHEMBL2085325 0.83 CXCR3 (0.77) CXCR3CCR5ALDH1A1CYP3A4CYP2D6
SCHEMBL2086775 0.83 CXCR3 (0.77) CXCR3CCR5ALDH1A1CYP3A4CYP2D6
SCHEMBL2086245 0.83 TNF (0.57) CXCR3CYP3A4CYP2D6CYP2C9

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 10/4885CHRM2 366/4885

“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.