SCHEMBL521671

SCHEMBL521671

Cc1ccc(C2=NCCN2C(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTAFR P25105 2/20 0.45
OPRM1 P35372 3/20 0.40
OPRD1 P41143 3/20 0.40
OPRK1 P41145 3/20 0.40
OPRL1 P41146 3/20 0.40
ALDH1A1 P00352 1/20 0.40
RECQL P46063 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
SLC6A9 P48067 1/20 0.38
GAA P10253 1/20 0.38
POLB P06746 1/20 0.38
CACNA2D1 P54289 1/20 0.37
CACNA1B Q00975 1/20 0.37
CACNB1 Q02641 1/20 0.37
CACNA1C Q13936 1/20 0.37
MAOB P27338 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 0.95 ALDH1A1 (0.42) PTAFROPRM1OPRD1OPRK1OPRL1
SCHEMBL10046459 0.89 PTAFR (0.42) PTAFROPRM1OPRD1OPRK1ALDH1A1
SCHEMBL522530 0.89 CYP19A1 (0.41) PTAFROPRM1OPRK1ALDH1A1RECQL
SCHEMBL10046472 0.86 OPRK1 (0.45) OPRM1OPRD1OPRK1OPRL1ALDH1A1
SCHEMBL10046461 0.85 OPRL1 (0.45) PTAFROPRL1ALDH1A1RECQLCYP3A4
SCHEMBL10046462 0.85 PTAFR (0.44) PTAFROPRM1OPRD1OPRK1OPRL1
SCHEMBL522532 0.85 SLC6A3 (0.44) PTAFROPRM1OPRD1OPRK1OPRL1
SCHEMBL522257 0.84 PTAFR (0.47) PTAFROPRM1OPRD1OPRK1OPRL1
SCHEMBL10046463 0.82 OPRD1 (0.50) OPRM1OPRD1OPRK1OPRL1CYP3A4
SCHEMBL522607 0.81 OPRK1 (0.43) PTAFROPRM1OPRD1OPRK1OPRL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2421836-A1 2-ARYL IMIDAZOLINE DERIVATIVES MSD K.K. (JP) 2012-02-29 EP claimed
US-20120029041-A1 2-ARYL IMIDAZOLINE DERIVATIVES MSD K.K. (JP) 2012-02-02 US claimed
WO-2010123150-A1 2-ARYL IMIDAZOLINE DERIVATIVES BANYU PHARMACEUTICAL CO.,LTD. (JP) 2010-10-28 WO claimed
EP-2421836-A1 2-ARYL IMIDAZOLINE DERIVATIVES MSD K.K. (JP) 2012-02-29 EP disclosed
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
US-20120029041-A1 2-ARYL IMIDAZOLINE DERIVATIVES MSD K.K. (JP) 2012-02-02 US disclosed
WO-2010123150-A1 2-ARYL IMIDAZOLINE DERIVATIVES BANYU PHARMACEUTICAL CO.,LTD. (JP) 2010-10-28 WO 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 PTAFR 4849/4885OPRM1 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.