SCHEMBL8048962

SCHEMBL8048962

O=C1Cc2ccccc2N1C1CC2CCCC(C1)N2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CHRNB4 P30926 1/20 0.67
CHRNA3 P32297 1/20 0.67
OPRM1 P35372 12/20 0.56
OPRK1 P41145 11/20 0.56
OPRL1 P41146 11/20 0.56
NOTUM Q6P988 1/20 0.50
DDB1 Q16531 1/20 0.50
CRBN Q96SW2 1/20 0.50

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
SCHEMBL13850000 0.97 CHRNB4 (0.63) CHRNB4CHRNA3OPRM1OPRK1OPRL1
SCHEMBL9837438 0.83 OPRM1 (0.75) CHRNB4CHRNA3OPRM1OPRK1OPRL1
SCHEMBL13849978 0.83 CHRNB4 (0.46) CHRNB4CHRNA3OPRM1OPRK1OPRL1
SCHEMBL8038486 0.80 CHRNB4 (1.00) CHRNB4CHRNA3OPRM1OPRK1OPRL1
SCHEMBL28667548 0.80 OPRM1 (0.80) CHRNB4CHRNA3OPRM1OPRK1OPRL1
SCHEMBL2554375 0.80 OPRM1 (0.69) CHRNB4CHRNA3OPRM1OPRK1OPRL1
SCHEMBL13849998 0.77 CHRNB4 (0.94) CHRNB4CHRNA3OPRM1OPRK1OPRL1
SCHEMBL8039238 0.77 CHRNB4 (0.89) CHRNB4CHRNA3OPRM1OPRK1OPRL1
SCHEMBL828730 0.76 OPRM1 (0.61) CHRNB4CHRNA3OPRM1OPRK1OPRL1
SCHEMBL29809539 0.76 OPRM1 (0.61) CHRNB4CHRNA3OPRM1OPRK1OPRL1

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-20090118326-A1 Nicotinic Acetylcholine Receptor Modulators NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2009-05-07 US disclosed
US-20090118326-A1 Nicotinic Acetylcholine Receptor Modulators NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2009-05-07 US disclosed
WO-2009058120-A1 NICOTINIC ACETYLCHOLINE RECEPTOR MODULATORS SRI INTERNATIONAL (US) 2009-05-07 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-20090118326-A1 Nicotinic Acetylcholine Receptor Modulators CHRNA10, CHRNA6, CHRNA5 CHRNB4 17/4885CHRNA3 10/4885OPRM1 25/4885

“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.