SCHEMBL9925787

SCHEMBL9925787

CCN(CC)C(=O)c1ccc(C(c2cccc(C)c2)N2CCN(Cc3ccc(F)cc3)CC2)cc1

nearest known ligand 0.72

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 15/20 0.72
KCNH2 Q12809 3/20 0.72
OPRM1 P35372 5/20 0.60
MEN1 O00255 1/20 0.57
KMT2A Q03164 1/20 0.57
ATM Q13315 1/20 0.57
OPRK1 P41145 2/20 0.55

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
SCHEMBL84149 1.00 OPRD1 (0.72) OPRD1KCNH2OPRM1MEN1KMT2A
SCHEMBL9925788 0.92 OPRD1 (0.65) OPRD1KCNH2OPRM1MEN1KMT2A
SCHEMBL9925785 0.92 OPRD1 (0.65) OPRD1KCNH2OPRM1MEN1KMT2A
SCHEMBL9925784 0.92 OPRD1 (0.67) OPRD1KCNH2OPRM1MEN1KMT2A
SCHEMBL73453 0.90 OPRD1 (0.71) OPRD1KCNH2OPRM1MEN1KMT2A
SCHEMBL71181 0.90 OPRD1 (0.71) OPRD1KCNH2OPRM1MEN1KMT2A
SCHEMBL29457724 0.90 OPRD1 (0.71) OPRD1KCNH2OPRM1MEN1KMT2A
SCHEMBL71180 0.90 OPRD1 (0.71) OPRD1KCNH2OPRM1MEN1KMT2A
SCHEMBL1932152 0.87 OPRD1 (0.67) OPRD1KCNH2OPRM1MEN1KMT2A
SCHEMBL12359992 0.87 OPRD1 (0.82) OPRD1KCNH2OPRM1MEN1KMT2A

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-20120149717-A1 Diarylmethyl Piperazine Derivatives, Preparations Thereof and Uses Thereof BROWN WILLIAM (CA) 2012-06-14 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-20120149717-A1 Diarylmethyl Piperazine Derivatives, Preparations Thereof and Uses Thereof OPRM1, OPRL1, PNMT OPRD1 8/4885KCNH2 145/4885OPRM1 1/4885

“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.