SCHEMBL13247993

SCHEMBL13247993

CC(C)[C@@H]1Cc2ccccc2CN1C(C)C

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
HRH3 Q9Y5N1 2/20 0.36
KCNH2 Q12809 1/20 0.36
ACE P12821 2/20 0.35
OPRM1 P35372 1/20 0.35
OPRK1 P41145 1/20 0.35
MAOA P21397 2/20 0.34
MAOB P27338 2/20 0.34
NOTUM Q6P988 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
SCHEMBL4737676 1.00 MEN1 (0.36) MEN1KMT2AHRH3KCNH2ACE
SCHEMBL17658844 0.82 DRD2 (0.42) HRH3ACEOPRM1OPRK1MAOA
SCHEMBL26504659 0.82 HRH3 (0.34) MEN1KMT2AHRH3KCNH2ACE
SCHEMBL19440241 0.81 ACE (0.38) MEN1KMT2AHRH3KCNH2ACE
SCHEMBL13267985 0.79 NOTUM (0.39) MEN1KMT2AHRH3KCNH2OPRM1
SCHEMBL13416638 0.79 MAOA (0.39) MEN1KMT2AACEOPRM1OPRK1
SCHEMBL13711153 0.79 NOTUM (0.39) MEN1KMT2AHRH3KCNH2OPRM1
SCHEMBL12650870 0.79 MAOA (0.39) MEN1KMT2AACEOPRM1OPRK1
SCHEMBL23034795 0.75 HRH3 (0.37) MEN1KMT2AHRH3KCNH2ACE
SCHEMBL21323509 0.75 MEN1 (0.34) MEN1KMT2AHRH3KCNH2ACE

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
WO-2023165943-A1 3-ALKYNYL CARBOXAMIDES AS AEP MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2023-09-07 WO disclosed
US-8987306-B2 Inhibitors of integrin alpha2beta1 based on prolyl diaminopropionic acid scaffold THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2015-03-24 US disclosed
US-20100179119-A1 Inhibitors of Integrin Alpha2Beta1 Based on Prolyl Diaminopropionic Acid Scaffold NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2010-07-15 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 (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-20100179119-A1 Inhibitors of Integrin Alpha2Beta1 Based on Prolyl Diaminopropionic Acid Scaffold ITGA2B, ITGA2, ITGB2 MEN1 4305/4885KMT2A 2860/4885HRH3 1217/4885

“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.