SCHEMBL5111398

SCHEMBL5111398

NC(=O)C1(N2CCCCC2)CCN(C(=O)c2nc(-c3ccc(Cl)cc3Cl)c(-c3ccc(Cl)cc3)o2)CC1

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CNR1 P21554 9/20 0.59
▸ CYP2C19 P33261 2/20 0.46
▸ ALDH1A1 P00352 2/20 0.46
▸ KDM4E B2RXH2 1/20 0.46
▸ USP2 O75604 1/20 0.46
▸ GLA P06280 1/20 0.46
▸ CYP3A4 P08684 1/20 0.46
▸ CYP2C9 P11712 1/20 0.46
▸ HPGD P15428 1/20 0.46
▸ ALOX15 P16050 1/20 0.46
▸ CASP1 P29466 1/20 0.46
▸ CASP7 P55210 1/20 0.46
▸ HSD17B10 Q99714 1/20 0.46
▸ TP53 P04637 1/20 0.44

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
SCHEMBL5112828 0.91 ALDH1A1 (0.48) CNR1CYP2C19ALDH1A1KDM4EUSP2
SCHEMBL5106083 0.82 CNR1 (0.54) CNR1
SCHEMBL5110891 0.79 CNR1 (0.57) CNR1
SCHEMBL5103007 0.78 CNR1 (0.60) CNR1ALDH1A1TP53
SCHEMBL5111599 0.77 CNR1 (0.54) CNR1
SCHEMBL5795128 0.77 CNR1 (0.64) CNR1
SCHEMBL5113110 0.77 CNR1 (0.51) CNR1ALDH1A1
SCHEMBL5106047 0.76 CNR1 (0.57) CNR1ALDH1A1GLA
SCHEMBL1260541 0.76 CNR1 (0.60) CNR1CYP2C19ALDH1A1KDM4EUSP2
SCHEMBL2327666 0.76 CNR1 (0.48) CNR1CYP2C19ALDH1A1KDM4EUSP2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070043060-A1 OXAZOLE DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2007-02-22 — — US claimed
US-7320978-B2 Oxazole derivatives, preparation and therapeutic use thereof SANOFI-AVENTIS (FR) 2008-01-22 — — US disclosed
US-20070043060-A1 OXAZOLE DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2007-02-22 — — 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-20070043060-A1 OXAZOLE DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF OXA1L, ARG2, CYP3A7 CNR1 246/4885CYP2C19 16/4885ALDH1A1 97/4885

“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.

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