SCHEMBL868771

SCHEMBL868771

C[C@H](c1ccccc1)N1CC2(C)CC2(N)C1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.50
MC4R P32245 1/20 0.45
OPRM1 P35372 4/20 0.42
OPRK1 P41145 4/20 0.42
OPRL1 P41146 4/20 0.42
OPRD1 P41143 3/20 0.42
NPSR1 Q6W5P4 1/20 0.42
GPR55 Q9Y2T6 1/20 0.42
ALDH1A1 P00352 2/20 0.35
CHRM2 P08172 2/20 0.33
CHRM1 P11229 2/20 0.33
HSD11B1 P28845 1/20 0.33

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
SCHEMBL868770 1.00 CYP2D6 (0.50) CYP2D6MC4ROPRM1OPRK1OPRL1
SCHEMBL2337932 0.75 CYP2D6 (0.65) CYP2D6MC4ROPRM1OPRK1OPRL1
SCHEMBL4665249 0.74 CYP2D6 (0.50) CYP2D6MC4ROPRM1OPRK1OPRL1
Hydrochloric Acid SCHEMBL2330314 0.73 CYP2D6 (0.63) CYP2D6MC4ROPRM1OPRK1OPRL1
SCHEMBL14139883 0.73 CYP2D6 (0.45) CYP2D6MC4ROPRM1OPRK1OPRL1
SCHEMBL2636383 0.72 CYP2D6 (0.41) CYP2D6MC4ROPRM1OPRK1OPRL1
SCHEMBL2636381 0.72 CYP2D6 (0.41) CYP2D6MC4ROPRM1OPRK1OPRL1
SCHEMBL9009194 0.71 CYP2D6 (0.55) CYP2D6MC4ROPRM1OPRK1OPRL1
Hydrochloric Acid SCHEMBL2334345 0.70 CYP2D6 (0.53) CYP2D6MC4ROPRM1OPRK1OPRL1
SCHEMBL4748535 0.70 CYP2D6 (0.45) CYP2D6MC4ROPRM1OPRK1OPRL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2437600-A1 BIS-PYRIDYLPYRIDONES AS MELANIN-CONCENTRATING HORMONE RECEPTOR 1 ANTAGONISTS GlaxoSmithKline LLC (US) 2012-04-11 EP disclosed
US-20120077795-A1 BIS-PYRIDYLPYRIDONES AS MELANIN-CONCENTRATING HORMONE RECEPTOR 1 ANTAGONISTS GLAXSMITHKLINE LLC (US) 2012-03-29 US disclosed
US-20120077795-A1 BIS-PYRIDYLPYRIDONES AS MELANIN-CONCENTRATING HORMONE RECEPTOR 1 ANTAGONISTS GLAXSMITHKLINE LLC (US) 2012-03-29 US disclosed
WO-2010141540-A1 BIS-PYRIDYLPYRIDONES AS MELANIN-CONCENTRATING HORMONE RECEPTOR 1 ANTAGONISTS GLAXOSMITHKLINE LLC (US) 2010-12-09 WO disclosed
WO-2010141540-A1 BIS-PYRIDYLPYRIDONES AS MELANIN-CONCENTRATING HORMONE RECEPTOR 1 ANTAGONISTS GLAXOSMITHKLINE LLC (US) 2010-12-09 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-20120077795-A1 BIS-PYRIDYLPYRIDONES AS MELANIN-CONCENTRATING HORMONE RECEPTOR 1 ANTAGONISTS MCHR1, MCHR2, MC1R CYP2D6 557/4885MC4R 4/4885OPRM1 81/4885

“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.