SCHEMBL4243353

SCHEMBL4243353

Clc1ccccc1C(c1ccccc1)N1CCN(C(c2ccccc2)c2ccccc2Cl)CC1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 5/20 0.68
OPRD1 P41143 4/20 0.68
OPRK1 P41145 4/20 0.68
OPRL1 P41146 4/20 0.68
CACNA2D1 P54289 6/20 0.67
CACNA1B Q00975 6/20 0.67
CACNB1 Q02641 6/20 0.67
CACNA1G O43497 2/20 0.67
CACNA1C Q13936 2/20 0.65
KDM4E B2RXH2 1/20 0.54
ALDH1A1 P00352 1/20 0.54
MAPT P10636 1/20 0.54
HTT P42858 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
CNR1 P21554 6/20 0.53
CHRM2 P08172 2/20 0.53
ADRA2A P08913 2/20 0.53
CHRM1 P11229 2/20 0.53
DRD1 P21728 2/20 0.53
DRD3 P35462 2/20 0.53

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
SCHEMBL8620125 0.92 CACNA2D1 (0.63) OPRM1OPRD1OPRK1OPRL1CACNA2D1
SCHEMBL2430851 0.88 MEN1 (0.69) OPRM1OPRD1OPRK1OPRL1CACNA2D1
SCHEMBL9254374 0.88 OPRM1 (0.59) OPRM1OPRD1OPRK1OPRL1CACNA2D1
SCHEMBL2430848 0.88 MEN1 (0.69) OPRM1OPRD1OPRK1OPRL1CACNA2D1
SCHEMBL11386919 0.85 OPRM1 (0.57) OPRM1OPRD1OPRK1OPRL1CACNA2D1
SCHEMBL9258075 0.83 OPRM1 (0.54) OPRM1OPRD1OPRK1OPRL1CACNA2D1
SCHEMBL5541529 0.82 CACNA2D1 (0.58) OPRM1OPRD1OPRK1OPRL1CACNA2D1
SCHEMBL5266144 0.82 CACNA2D1 (1.00) CACNA2D1CACNA1BCACNB1CACNA1GCACNA1C
SCHEMBL3396514 0.81 CACNA2D1 (1.00) CACNA2D1CACNA1BCACNB1CACNA1GCACNA1C
Acetic Acid SCHEMBL11195893 0.81 OPRD1 (0.61) OPRM1OPRD1OPRK1OPRL1CACNA2D1

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-20090105260-A1 Molecules to Enhance Percutaneous Delivery and Methods for Discovery Therefor REGENTS OF THE UNIVERSITY OF CALIFORNIA, THE 2009-04-23 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-20090105260-A1 Molecules to Enhance Percutaneous Delivery and Methods for Discovery Therefor NOTUM, TRPV1, TRPV4 OPRM1 1518/4885OPRD1 598/4885OPRK1 368/4885

“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.