SCHEMBL5484595

SCHEMBL5484595

CC(=O)C1CCN(c2ccccc2C(=O)c2nc(-c3ccc(Cl)cc3Cl)c(-c3ccc(Br)cc3)o2)CC1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CNR1 P21554 15/20 0.46
▸ CNR2 P34972 5/20 0.35
▸ KDM4E B2RXH2 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ NPY1R P25929 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ HTR2A P28223 1/20 0.34
▸ HTR2C P28335 1/20 0.34
▸ KCNH2 Q12809 1/20 0.33
▸ NOTUM Q6P988 1/20 0.33
▸ DRD2 P14416 1/20 0.33
▸ DRD1 P21728 1/20 0.33
▸ F10 P00742 1/20 0.33

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
SCHEMBL5484604 0.76 CNR1 (0.46) CNR1CNR2KCNH2
SCHEMBL5106047 0.74 CNR1 (0.57) CNR1ALDH1A1MAPTNPSR1
SCHEMBL5102816 0.73 CNR1 (0.56) CNR1CNR2KDM4E
SCHEMBL5106096 0.71 CNR1 (0.49) CNR1CNR2
SCHEMBL5105634 0.66 CNR1 (0.64) CNR1CNR2KDM4E
SCHEMBL5103007 0.66 CNR1 (0.60) CNR1ALDH1A1MAPTHTT
SCHEMBL5111599 0.65 CNR1 (0.54) CNR1CNR2
SCHEMBL5103312 0.65 CNR1 (0.54) CNR1KDM4EALDH1A1MAPT
SCHEMBL5113066 0.64 CNR1 (0.53) CNR1ALDH1A1MAPTHTTNPSR1
SCHEMBL5111418 0.64 CNR1 (1.00) CNR1CNR2

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 1 patent. 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 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 356/4885KDM4E 2554/4885

“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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