SCHEMBL10046471

SCHEMBL10046471

Cc1ccccc1C(c1ccccc1)N1CCN=C1c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 8/20 0.44
OPRD1 P41143 8/20 0.44
OPRK1 P41145 8/20 0.44
OPRL1 P41146 8/20 0.44
GAA P10253 1/20 0.41
ALDH1A1 P00352 1/20 0.40
RECQL P46063 1/20 0.40
LMNA P02545 2/20 0.38
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA4 P22748 1/20 0.37
CA7 P43166 1/20 0.37
PTAFR P25105 1/20 0.36
CHRNA7 P36544 1/20 0.36
HRH2 P25021 1/20 0.36
GPR183 P32249 1/20 0.36
POLB P06746 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) OPRM1OPRK1GAAALDH1A1RECQL
SCHEMBL10046469 0.84 CYP19A1 (0.47) OPRM1OPRD1OPRK1OPRL1ALDH1A1
SCHEMBL10046465 0.83 OPRM1 (0.44) OPRM1OPRD1OPRK1OPRL1LMNA
SCHEMBL10046467 0.83 ALDH1A1 (0.42) OPRM1OPRD1OPRK1OPRL1GAA
SCHEMBL10046459 0.82 PTAFR (0.42) OPRM1OPRD1OPRK1GAAALDH1A1
SCHEMBL521671 0.81 PTAFR (0.45) OPRM1OPRD1OPRK1OPRL1GAA
SCHEMBL10046472 0.80 OPRK1 (0.45) OPRM1OPRD1OPRK1OPRL1GAA
SCHEMBL10046470 0.77 SLC6A3 (0.47) OPRM1OPRD1OPRK1OPRL1ALDH1A1
SCHEMBL10046461 0.76 OPRL1 (0.45) OPRL1ALDH1A1RECQLLMNACA1
SCHEMBL522532 0.75 SLC6A3 (0.44) OPRM1OPRD1OPRK1OPRL1ALDH1A1

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 677/4885OPRD1 828/4885OPRK1 510/4885

“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.