SCHEMBL5113110

SCHEMBL5113110

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

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CNR1 P21554 11/20 0.51
▸ F11 P03951 3/20 0.43
▸ ALDH1A1 P00352 3/20 0.42
▸ CA12 O43570 2/20 0.41
▸ CA1 P00915 2/20 0.41
▸ CA2 P00918 2/20 0.41
▸ CA9 Q16790 2/20 0.41
▸ CA7 P43166 1/20 0.41
▸ CA14 Q9ULX7 1/20 0.41
▸ CNR2 P34972 2/20 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
SCHEMBL5106083 0.85 CNR1 (0.54) CNR1CNR2
SCHEMBL5111599 0.85 CNR1 (0.54) CNR1CA12CA1CA2CA9
SCHEMBL6024749 0.81 CNR1 (0.47) CNR1F11ALDH1A1CA12CA1
SCHEMBL5106096 0.81 CNR1 (0.49) CNR1CA12CA1CA2CA9
SCHEMBL5110891 0.80 CNR1 (0.57) CNR1CNR2
SCHEMBL5106047 0.79 CNR1 (0.57) CNR1ALDH1A1
SCHEMBL5105879 0.78 CNR1 (0.54) CNR1CA12CA1CA2CA9
SCHEMBL5106144 0.78 CNR1 (0.45) CNR1CA12CA1CA2CA9
SCHEMBL5103007 0.78 CNR1 (0.60) CNR1ALDH1A1
SCHEMBL5111398 0.77 CNR1 (0.59) CNR1ALDH1A1

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 6 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 claimed
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
EP-1716142-A2 OXAZOLE DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEROF Sanofi-Aventis (FR) 2006-11-02 — — EP disclosed
WO-2005080357-A2 OXAZOLE DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEROF SANOFI-AVENTIS (FR) 2005-09-01 — — WO 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 246/4885F11 1071/4885ALDH1A1 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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