SCHEMBL10046469

SCHEMBL10046469

COc1ccccc1C(c1ccccc1)N1CCN=C1c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.47
OPRM1 P35372 3/20 0.46
OPRD1 P41143 3/20 0.46
OPRK1 P41145 3/20 0.46
OPRL1 P41146 3/20 0.46
THRB P10828 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.41
IDO1 P14902 1/20 0.38
TDO2 P48775 1/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
ALDH1A1 P00352 2/20 0.38
HTT P42858 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
LMNA P02545 1/20 0.37
CYP2D6 P10635 1/20 0.36
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
HTR7 P34969 1/20 0.36
SLC6A3 Q01959 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
SCHEMBL10046471 0.84 OPRM1 (0.44) OPRM1OPRD1OPRK1OPRL1ALDH1A1
SCHEMBL522530 0.83 CYP19A1 (0.41) CYP19A1OPRM1OPRK1IDO1MEN1
SCHEMBL10046465 0.81 OPRM1 (0.44) CYP19A1OPRM1OPRD1OPRK1OPRL1
SCHEMBL522257 0.81 PTAFR (0.47) CYP19A1OPRM1OPRD1OPRK1OPRL1
SCHEMBL10046459 0.80 PTAFR (0.42) CYP19A1OPRM1OPRD1OPRK1IDO1
SCHEMBL10046467 0.78 ALDH1A1 (0.42) OPRM1OPRD1OPRK1OPRL1IDO1
SCHEMBL10046462 0.76 PTAFR (0.44) OPRM1OPRD1OPRK1OPRL1MEN1
SCHEMBL521671 0.76 PTAFR (0.45) OPRM1OPRD1OPRK1OPRL1ALDH1A1
SCHEMBL10046464 0.75 NPC1 (0.54) CYP19A1SMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL10046470 0.75 SLC6A3 (0.47) CYP19A1OPRM1OPRD1OPRK1OPRL1

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 CYP19A1 234/4885OPRM1 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.