SCHEMBL6884044

SCHEMBL6884044

CN(c1ncc(-c2ccccc2)cn1)C1CCOCC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.47
OPRL1 P41146 1/20 0.47
NPC1 O15118 3/20 0.45
RAB9A P51151 3/20 0.45
BRAF P15056 1/20 0.42
PIK3R1 P27986 1/20 0.42
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
HSP90AA1 P07900 1/20 0.41
KMT2A Q03164 1/20 0.41
HTT P42858 1/20 0.41
USP30 Q70CQ3 1/20 0.40
ALDH1A1 P00352 1/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.39
GABRA5 P31644 1/20 0.39
NFKB1 P19838 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
PIK3CA P42336 1/20 0.39

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
SCHEMBL6887260 0.84 USP30 (0.57) OPRM1OPRL1NPC1RAB9ABRAF
SCHEMBL4486976 0.81 MAPK1 (0.44) OPRM1OPRL1NPC1RAB9ABRAF
SCHEMBL1642623 0.81 GRM5 (0.58) OPRM1OPRL1NPC1RAB9AFFAR2
SCHEMBL19145770 0.80 MAPK1 (0.53) OPRM1OPRL1NPC1RAB9ABRAF
SCHEMBL22627088 0.79 OPRM1 (0.41) OPRM1OPRL1NPC1RAB9ABRAF
SCHEMBL23243806 0.78 OPRM1 (0.39) OPRM1OPRL1NPC1RAB9ABRAF
SCHEMBL19105571 0.76 OPRM1 (0.40) OPRM1OPRL1NPC1RAB9ABRAF
SCHEMBL18694686 0.75 OPRM1 (0.42) OPRM1OPRL1NPC1RAB9ABRAF
SCHEMBL20605990 0.75 OPRM1 (0.39) OPRM1OPRL1NPC1RAB9ABRAF
SCHEMBL6575818 0.74 NPC1 (0.42) OPRM1OPRL1NPC1RAB9AKDM4E

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-8389536-B2 Positive allosteric modulators (PAM) HOFFMANN-LA ROCHE INC. (US) 2013-03-05 US disclosed
US-20110098313-A1 POSITIVE ALLOSTERIC MODULATORS (PAM) HOFFMANN-LA ROCHE, INC. 2011-04-28 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-20110098313-A1 POSITIVE ALLOSTERIC MODULATORS (PAM) GRM5, GRM1, GRM2 OPRM1 166/4885OPRL1 140/4885NPC1 3414/4885

“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.