SCHEMBL3058665

SCHEMBL3058665

Nc1ccc(Oc2ccc3c(c2)CCN3CC(=O)N2CCN(C(Cc3ccccc3)C3=COCO3)CC2)nc1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 11/20 0.38
OPRD1 P41143 10/20 0.38
OPRK1 P41145 9/20 0.38
ROCK2 O75116 1/20 0.32
HRH3 Q9Y5N1 3/20 0.32
DRD4 P21917 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
CTSL P07711 1/20 0.32
SCN7A Q01118 1/20 0.30
KCNH2 Q12809 1/20 0.30
SCN5A Q14524 1/20 0.30
SCN2A Q99250 1/20 0.30
SCN8A Q9UQD0 1/20 0.30

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
SCHEMBL3051012 0.90 L3MBTL1 (0.36) OPRM1OPRD1OPRK1MAPT
SCHEMBL3047411 0.85 MEN1 (0.31) HRH3
SCHEMBL3061116 0.85 HRH3 (0.37) OPRM1OPRD1OPRK1HRH3ALDH1A1
SCHEMBL3045827 0.84 PGR (0.34) OPRM1OPRD1OPRK1HRH3MAPT
SCHEMBL3057438 0.84 NR3C1 (0.37) SCN7AKCNH2
SCHEMBL3057097 0.78 STAT3 (0.39) HRH3SCN7AKCNH2
SCHEMBL3055934 0.77 EGLN1 (0.32) HRH3DRD4ALDH1A1
SCHEMBL3061625 0.77 HRH3 (0.36) OPRM1OPRK1HRH3
SCHEMBL3056040 0.77 LOXL2 (0.43) HRH3MAPT
SCHEMBL3050853 0.76 HSPB1 (0.32) HRH3ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8551999-B2 Heterocyclic compound and pharmaceutical composition thereof OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-10-08 US disclosed
EP-2207773-B1 HETEROCYCLIC COMPOUND AND PHARMACEUTICAL COMPOSITION THEREOF OTSUKA PHARMA CO LTD (JP) 2012-07-11 EP disclosed
US-20100261720-A1 HETEROCYCLIC COMPOUND AND PHARMACEUTICAL COMPOSITION THEREOF OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2010-10-14 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-20100261720-A1 HETEROCYCLIC COMPOUND AND PHARMACEUTICAL COMPOSITION THEREOF COL1A1, COL2A1, COL14A1 OPRM1 486/4885OPRD1 178/4885OPRK1 939/4885

“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.