SCHEMBL9925784

SCHEMBL9925784

CCN(CC)C(=O)c1ccc(C(c2cccc(C)c2)N2CCN(Cc3ccccc3)CC2)cc1

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 11/20 0.67
OPRM1 P35372 4/20 0.64
OPRK1 P41145 3/20 0.64
KCNH2 Q12809 3/20 0.61
CYP3A4 P08684 2/20 0.61
USP2 O75604 1/20 0.61
CYP1A2 P05177 1/20 0.61
CYP2D6 P10635 1/20 0.61
CYP2C19 P33261 1/20 0.61
HPN P05981 1/20 0.61
CHRM2 P08172 1/20 0.61
ADRA2A P08913 1/20 0.61
ADORA3 P0DMS8 1/20 0.61
CHRM1 P11229 1/20 0.61
DRD2 P14416 1/20 0.61
ADRA2C P18825 1/20 0.61
CNR1 P21554 1/20 0.61
DRD1 P21728 1/20 0.61
DRD4 P21917 1/20 0.61
SLC6A2 P23975 1/20 0.61

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 0.92 OPRD1 (0.72) OPRD1OPRM1OPRK1KCNH2MEN1
SCHEMBL9925787 0.92 OPRD1 (0.72) OPRD1OPRM1OPRK1KCNH2MEN1
SCHEMBL9925785 0.91 OPRD1 (0.65) OPRD1OPRM1OPRK1KCNH2CYP3A4
SCHEMBL9925788 0.91 OPRD1 (0.65) OPRD1OPRM1OPRK1KCNH2CYP3A4
SCHEMBL231375 0.90 OPRD1 (0.67) OPRD1OPRM1OPRK1KCNH2
SCHEMBL15764535 0.90 OPRD1 (0.67) OPRD1OPRM1OPRK1KCNH2
SCHEMBL4825406 0.90 OPRD1 (0.67) OPRD1OPRM1OPRK1KCNH2
SCHEMBL84143 0.89 OPRD1 (0.66) OPRD1OPRM1OPRK1KCNH2
SCHEMBL12569760 0.89 OPRD1 (0.66) OPRD1OPRM1OPRK1KCNH2
SCHEMBL14108184 0.89 OPRD1 (0.66) OPRD1OPRM1OPRK1KCNH2

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 8/4885OPRM1 1/4885OPRK1 7/4885

“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.