SCHEMBL10046463

SCHEMBL10046463

N#Cc1ccc(C2=NCCN2C(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 2/20 0.50
MAOB P27338 2/20 0.47
CYP19A1 P11511 7/20 0.46
OPRM1 P35372 1/20 0.45
OPRK1 P41145 1/20 0.45
OPRL1 P41146 1/20 0.45
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C19 P33261 1/20 0.40
SLC1A3 P43003 2/20 0.38
SLC1A2 P43004 2/20 0.38
KCNH2 Q12809 2/20 0.38
SLC1A1 P43005 1/20 0.38
USP2 O75604 1/20 0.38
LMNA P02545 1/20 0.38
ALOX15 P16050 1/20 0.38
TSHR P16473 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38

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
SCHEMBL10046459 0.86 PTAFR (0.42) OPRD1CYP19A1OPRM1OPRK1MEN1
SCHEMBL522530 0.86 CYP19A1 (0.41) CYP19A1OPRM1OPRK1MEN1KMT2A
SCHEMBL522532 0.82 SLC6A3 (0.44) OPRD1CYP19A1OPRM1OPRK1OPRL1
SCHEMBL521671 0.82 PTAFR (0.45) OPRD1MAOBOPRM1OPRK1OPRL1
SCHEMBL10046462 0.82 PTAFR (0.44) OPRD1OPRM1OPRK1OPRL1MEN1
SCHEMBL10046461 0.80 OPRL1 (0.45) OPRL1MEN1KMT2ACYP3A4CYP2D6
SCHEMBL522607 0.79 OPRK1 (0.43) OPRD1MAOBOPRM1OPRK1OPRL1
SCHEMBL522257 0.79 PTAFR (0.47) OPRD1CYP19A1OPRM1OPRK1OPRL1
SCHEMBL10046464 0.79 NPC1 (0.54) CYP19A1MEN1KMT2ALMNATSHR
SCHEMBL10046470 0.78 SLC6A3 (0.47) OPRD1CYP19A1OPRM1OPRK1OPRL1

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 OPRD1 828/4885MAOB 2685/4885CYP19A1 234/4885

“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.