SCHEMBL769832

SCHEMBL769832

CNC1CN([C@H](C)c2ccccc2)CC12CC2

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.46
OPRM1 P35372 5/20 0.42
OPRL1 P41146 4/20 0.42
OPRD1 P41143 3/20 0.42
OPRK1 P41145 3/20 0.42
MC4R P32245 1/20 0.41
HSD11B1 P28845 2/20 0.34
CCR5 P51681 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL20183370 0.84 CYP2D6 (0.47) CYP2D6OPRM1OPRL1OPRD1OPRK1
SCHEMBL20183371 0.84 CYP2D6 (0.47) CYP2D6OPRM1OPRL1OPRD1OPRK1
SCHEMBL20183318 0.84 CYP2D6 (0.47) CYP2D6OPRM1OPRL1OPRD1OPRK1
SCHEMBL20183317 0.84 CYP2D6 (0.47) CYP2D6OPRM1OPRL1OPRD1OPRK1
SCHEMBL20183314 0.84 CYP2D6 (0.47) CYP2D6OPRM1OPRL1OPRD1OPRK1
SCHEMBL8775479 0.79 CYP2D6 (0.49) CYP2D6OPRM1OPRL1OPRD1OPRK1
SCHEMBL3187502 0.79 CYP2D6 (0.49) CYP2D6OPRM1OPRL1OPRD1OPRK1
SCHEMBL13483618 0.79 CYP2D6 (0.49) CYP2D6OPRM1OPRL1OPRD1OPRK1
SCHEMBL374064 0.79 CYP2D6 (0.49) CYP2D6OPRM1OPRL1OPRD1OPRK1
SCHEMBL9057277 0.77 EPHX2 (0.39) CYP2D6OPRM1OPRL1OPRD1OPRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120071459-A1 BIS-PYRIDYLPYRIDONES AS MELANIN-CONCENTRATING HORMONE RECEPTOR 1 ANTAGONISTS GLAXOSMITHKLINE LLC 2012-03-22 US disclosed
US-20120071459-A1 BIS-PYRIDYLPYRIDONES AS MELANIN-CONCENTRATING HORMONE RECEPTOR 1 ANTAGONISTS GLAXOSMITHKLINE LLC 2012-03-22 US disclosed
US-20120071459-A1 BIS-PYRIDYLPYRIDONES AS MELANIN-CONCENTRATING HORMONE RECEPTOR 1 ANTAGONISTS GLAXOSMITHKLINE LLC 2012-03-22 US disclosed
WO-2010141545-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-20120071459-A1 BIS-PYRIDYLPYRIDONES AS MELANIN-CONCENTRATING HORMONE RECEPTOR 1 ANTAGONISTS MCHR1, MCHR2, MC1R CYP2D6 557/4885OPRM1 81/4885OPRL1 51/4885

“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.