SCHEMBL19367695

SCHEMBL19367695

Cc1cc(C)c(N[C@H](C)[C@@H](C)Nc2c(C)cc(C)cc2C)c(C)c1

nearest known ligand 0.55

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
RAPGEF4 Q8WZA2 14/20 0.55
FFAR4 Q5NUL3 3/20 0.41
ALDH1A1 P00352 1/20 0.40

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
SCHEMBL6424941 0.84 RAPGEF4 (0.55) RAPGEF4FFAR4ALDH1A1
SCHEMBL14587753 0.84 RAPGEF4 (0.55) RAPGEF4FFAR4ALDH1A1
Hydrochloric Acid SCHEMBL1013011 0.82 RAPGEF4 (0.52) RAPGEF4FFAR4ALDH1A1
Bromide SCHEMBL28294732 0.82 RAPGEF4 (0.52) RAPGEF4FFAR4ALDH1A1
SCHEMBL2354467 0.80 RAPGEF4 (0.50) RAPGEF4FFAR4ALDH1A1
Hydrochloric Acid SCHEMBL29113098 0.78 RAPGEF4 (0.48) RAPGEF4FFAR4ALDH1A1
SCHEMBL28131012 0.77 NPSR1 (0.39) RAPGEF4FFAR4ALDH1A1
SCHEMBL29113095 0.75 RAPGEF4 (0.44) RAPGEF4FFAR4ALDH1A1
SCHEMBL11174052 0.74 CYP1A2 (0.39) ALDH1A1
SCHEMBL11170832 0.74 CYP1A2 (0.39) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170267707-A1 Methods and Compositions for Substituted Alpha-Aminophosphonate Analogues THE BOARD OF REGENTS OF THE NEVADA SYSTEM OF HIGHER EDUCATION ON BEHALF OF THE UNIVERSITY OF NEVADA, LAS VEGAS 2017-09-21 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-20170267707-A1 Methods and Compositions for Substituted Alpha-Aminophosphonate Analogues NPEPPS, AGPS, PHOSPHO1 RAPGEF4 1274/4885FFAR4 2976/4885ALDH1A1 4739/4885

“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.