SCHEMBL23084530

SCHEMBL23084530

CCC(C)N1c2ccccc2CC1c1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.37
CYP2D6 P10635 1/20 0.37
ACE P12821 3/20 0.36
OPRM1 P35372 1/20 0.36
OPRK1 P41145 1/20 0.36

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
SCHEMBL21244799 0.84 OPRM1 (0.40) ALDH1A1ACEOPRM1OPRK1
SCHEMBL11353671 0.81 ACE (0.38) ACEOPRM1OPRK1
SCHEMBL2632874 0.80 NOTUM (0.45) ALDH1A1CYP2D6
SCHEMBL19235053 0.76 SMN1; SMN2 (0.34) ACE
SCHEMBL26054023 0.74 CHRM2 (0.41) ALDH1A1CYP2D6
SCHEMBL11347631 0.72 CHRNB2 (0.47) ALDH1A1OPRM1OPRK1
SCHEMBL29074061 0.70 PRCP (0.39) ALDH1A1CYP2D6
SCHEMBL22871227 0.69 CHRNB2 (0.53)
SCHEMBL23084473 0.68 CHRNB2 (0.39)
SCHEMBL10274326 0.68 DRD2 (0.39) ACE

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-20230124268-A1 NICOTINAMIDE PHOSPHORIBOSYLTRANSFERASE INHIBITORS AND METHODS FOR USE OF THE SAME UNIV INDIANA TRUSTEES (US) 2023-04-20 US disclosed
US-11584766-B2 Nicotinamide phosphoribosyltransferase inhibitors and methods for use of the same THE TRUSTEES OF INDIANA UNIVERSITY (US) 2023-02-21 US disclosed
US-20210070784-A1 NICOTINAMIDE PHOSPHORIBOSYLTRANSFERASE INHIBITORS AND METHODS FOR USE OF THE SAME THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS 2021-03-11 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 (3 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-20210070784-A1 NICOTINAMIDE PHOSPHORIBOSYLTRANSFERASE INHIBITORS AND METHODS FOR USE OF THE SAME NAMPT, NNT, NAPRT ALDH1A1 726/4885CYP2D6 2064/4885ACE 973/4885
US-20230124268-A1 NICOTINAMIDE PHOSPHORIBOSYLTRANSFERASE INHIBITORS AND METHODS FOR USE OF THE SAME NAMPT, NNT, NAPRT ALDH1A1 726/4885CYP2D6 2064/4885ACE 973/4885
US-11584766-B2 Nicotinamide phosphoribosyltransferase inhibitors and methods for use of the same NAMPT, NNT, NAPRT ALDH1A1 726/4885CYP2D6 2064/4885ACE 973/4885

“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.