SCHEMBL10046465

SCHEMBL10046465

Clc1ccccc1C(c1ccccc1)N1CCN=C1c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 7/20 0.44
OPRL1 P41146 7/20 0.44
OPRD1 P41143 5/20 0.44
OPRK1 P41145 5/20 0.44
CACNA2D1 P54289 4/20 0.41
CACNA1B Q00975 4/20 0.41
CACNB1 Q02641 4/20 0.41
CACNA1G O43497 1/20 0.41
CACNA1C Q13936 2/20 0.41
LMNA P02545 2/20 0.41
CYP2C9 P11712 1/20 0.38
CYP19A1 P11511 1/20 0.36

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
SCHEMBL522530 0.85 CYP19A1 (0.41) OPRM1OPRK1LMNACYP19A1
SCHEMBL10046471 0.83 OPRM1 (0.44) OPRM1OPRL1OPRD1OPRK1LMNA
SCHEMBL10046470 0.83 SLC6A3 (0.47) OPRM1OPRL1OPRD1OPRK1CACNA2D1
SCHEMBL10046459 0.82 PTAFR (0.42) OPRM1OPRD1OPRK1CYP19A1
SCHEMBL522532 0.81 SLC6A3 (0.44) OPRM1OPRL1OPRD1OPRK1LMNA
SCHEMBL10046469 0.81 CYP19A1 (0.47) OPRM1OPRL1OPRD1OPRK1LMNA
SCHEMBL521510 0.78 PTAFR (0.46) OPRM1
SCHEMBL522353 0.78 PTAFR (0.47) OPRM1OPRL1OPRD1OPRK1CACNA2D1
SCHEMBL10046467 0.77 ALDH1A1 (0.42) OPRM1OPRL1OPRD1OPRK1CACNA2D1
SCHEMBL521671 0.75 PTAFR (0.45) OPRM1OPRL1OPRD1OPRK1CACNA2D1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120029041-A1 2-ARYL IMIDAZOLINE DERIVATIVES MSD K.K. (JP) 2012-02-02 US disclosed
US-20120029041-A1 2-ARYL IMIDAZOLINE DERIVATIVES MSD K.K. (JP) 2012-02-02 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-20120029041-A1 2-ARYL IMIDAZOLINE DERIVATIVES CLIC1, NAT1, NMRAL1 OPRM1 677/4885OPRL1 607/4885OPRD1 828/4885

“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.