SCHEMBL5105879

SCHEMBL5105879

CC(=O)C1(c2ccccc2)CCN(C(=O)c2nc(-c3ccc(Cl)cc3)c(-c3ccc(Cl)cc3Cl)o2)CC1

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CNR1 P21554 14/20 0.54
▸ CNR2 P34972 6/20 0.46
▸ TACR1 P25103 1/20 0.44
▸ PTGDR2 Q9Y5Y4 1/20 0.40
▸ CA12 O43570 1/20 0.40
▸ CA1 P00915 1/20 0.40
▸ CA2 P00918 1/20 0.40
▸ CA7 P43166 1/20 0.40
▸ CA9 Q16790 1/20 0.40
▸ CA14 Q9ULX7 1/20 0.40

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
SCHEMBL5111599 0.93 CNR1 (0.54) CNR1CNR2TACR1CA12CA1
SCHEMBL5110891 0.88 CNR1 (0.57) CNR1CNR2TACR1
SCHEMBL5106096 0.88 CNR1 (0.49) CNR1CNR2TACR1CA12CA1
SCHEMBL5106144 0.86 CNR1 (0.45) CNR1CNR2TACR1PTGDR2CA12
SCHEMBL5106083 0.84 CNR1 (0.54) CNR1CNR2TACR1
SCHEMBL6025253 0.79 CNR1 (0.48) CNR1CNR2TACR1CA12CA1
SCHEMBL5113110 0.78 CNR1 (0.51) CNR1CNR2CA12CA1CA2
SCHEMBL5099220 0.76 TACR1 (0.47) CNR1CNR2TACR1PTGDR2CA12
SCHEMBL1259435 0.76 TACR1 (0.55) CNR1CNR2TACR1CA12CA1
SCHEMBL5099240 0.76 TACR1 (0.46) CNR1CNR2TACR1PTGDR2CA12

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-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 246/4885CNR2 356/4885TACR1 353/4885

“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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