SCHEMBL21244799

SCHEMBL21244799

CC(C)N1c2ccccc2CC1c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.40
OPRK1 P41145 1/20 0.40
CHRNB2 P17787 1/20 0.40
CHRNB4 P30926 1/20 0.40
CHRNA3 P32297 1/20 0.40
CHRNA7 P36544 1/20 0.40
CHRNA4 P43681 1/20 0.40
ALDH1A1 P00352 1/20 0.37
ATM Q13315 1/20 0.37
ACE P12821 3/20 0.37

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
SCHEMBL11353671 0.87 ACE (0.38) OPRM1OPRK1CHRNB2CHRNB4CHRNA3
SCHEMBL23084530 0.84 ALDH1A1 (0.37) OPRM1OPRK1ALDH1A1ACE
SCHEMBL13831608 0.77 NOTUM (0.50) ALDH1A1
SCHEMBL13831594 0.77 NOTUM (0.50) ALDH1A1
SCHEMBL11347631 0.77 CHRNB2 (0.47) OPRM1OPRK1CHRNB2CHRNB4CHRNA3
SCHEMBL7674419 0.77 NOTUM (0.50) ALDH1A1
SCHEMBL4737682 0.75 DRD2 (0.40) OPRM1OPRK1ALDH1A1ACE
SCHEMBL2705982 0.75 DRD2 (0.40) OPRM1OPRK1ALDH1A1ACE
SCHEMBL26644945 0.75 AADAT (0.41) ALDH1A1ACE
SCHEMBL13957388 0.73 ACE (0.57) 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 4 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
WO-2019153007-A2 NICOTINAMIDE PHOSPHORIBOSYLTRANSFERASE INHIBITORS AND METHODS FOR USE OF THE SAME THE BOARO OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2019-08-08 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 (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 OPRM1 4733/4885OPRK1 4670/4885CHRNB2 2536/4885
US-20230124268-A1 NICOTINAMIDE PHOSPHORIBOSYLTRANSFERASE INHIBITORS AND METHODS FOR USE OF THE SAME NAMPT, NNT, NAPRT OPRM1 4733/4885OPRK1 4670/4885CHRNB2 2536/4885
US-11584766-B2 Nicotinamide phosphoribosyltransferase inhibitors and methods for use of the same NAMPT, NNT, NAPRT OPRM1 4733/4885OPRK1 4670/4885CHRNB2 2536/4885

“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.