SCHEMBL22601534

SCHEMBL22601534

CCCCCCCC(C)(C)c1cc(Br)ccn1

nearest known ligand 0.40

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 16/20 0.40
▸ CNR1 P21554 14/20 0.39
▸ AR P10275 1/20 0.35
▸ GPR84 Q9NQS5 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
SCHEMBL19176877 0.76 LMNA (0.42) CNR2CNR1
SCHEMBL19176721 0.76 LMNA (0.42) CNR2CNR1
SCHEMBL21201306 0.75 ALDH1A1 (0.39) AR
SCHEMBL4726800 0.73 SMN1; SMN2 (0.42) CNR2CNR1
SCHEMBL18681924 0.72 KDM4E (0.44) CNR2CNR1
SCHEMBL29426991 0.72 SMN1; SMN2 (0.41) —
SCHEMBL571943 0.72 SMN1; SMN2 (0.41) —
SCHEMBL20877706 0.71 CNR2 (0.40) CNR2CNR1
SCHEMBL26265942 0.71 CNR2 (0.52) CNR2CNR1
SCHEMBL23815855 0.70 KCNH2 (0.47) —

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-20200339530-A1 UREA DERIVATIVES AS INHIBITORS OF ASK1 HEPAGENE THERAPEUTICS, INC. (VG) 2020-10-29 — — 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-20200339530-A1 UREA DERIVATIVES AS INHIBITORS OF ASK1 ATF1, ERN1, MAP3K1 CNR2 4755/4885CNR1 4518/4885AR 4472/4885

“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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