SCHEMBL10046472

SCHEMBL10046472

Cc1cccc(C(c2ccccc2)N2CCN=C2c2ccccc2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 4/20 0.45
OPRM1 P35372 3/20 0.45
OPRD1 P41143 3/20 0.45
OPRL1 P41146 2/20 0.45
ALDH1A1 P00352 1/20 0.42
RECQL P46063 1/20 0.42
DPP4 P27487 1/20 0.41
SLC6A9 P48067 2/20 0.40
GAA P10253 2/20 0.40
EPHX1 P07099 1/20 0.38
LMNA P02545 2/20 0.38
CYP3A4 P08684 2/20 0.37
USP2 O75604 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C19 P33261 1/20 0.37
HPN P05981 1/20 0.37
CHRM2 P08172 1/20 0.37
ADRA2A P08913 1/20 0.37
ADORA3 P0DMS8 1/20 0.37

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
SCHEMBL10046467 0.87 ALDH1A1 (0.42) OPRK1OPRM1OPRD1OPRL1ALDH1A1
SCHEMBL522530 0.87 CYP19A1 (0.41) OPRK1OPRM1ALDH1A1RECQLGAA
SCHEMBL521671 0.86 PTAFR (0.45) OPRK1OPRM1OPRD1OPRL1ALDH1A1
SCHEMBL10046459 0.84 PTAFR (0.42) OPRK1OPRM1OPRD1ALDH1A1RECQL
SCHEMBL10046471 0.80 OPRM1 (0.44) OPRK1OPRM1OPRD1OPRL1ALDH1A1
SCHEMBL522353 0.80 PTAFR (0.47) OPRK1OPRM1OPRD1OPRL1ADORA3
SCHEMBL10046470 0.79 SLC6A3 (0.47) OPRK1OPRM1OPRD1OPRL1ALDH1A1
SCHEMBL10046461 0.78 OPRL1 (0.45) OPRL1ALDH1A1RECQLLMNACYP3A4
SCHEMBL522532 0.77 SLC6A3 (0.44) OPRK1OPRM1OPRD1OPRL1ALDH1A1
SCHEMBL10046462 0.77 PTAFR (0.44) OPRK1OPRM1OPRD1OPRL1DRD2

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 OPRK1 510/4885OPRM1 677/4885OPRD1 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.