SCHEMBL1336552

SCHEMBL1336552

CC(C)C[C@@H](C(N)=O)N(C)[C@H]1CC[C@@H]2CN(c3cccc(C(F)(F)F)c3F)C[C@@H]21

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.42
CACNA1B Q00975 9/20 0.38
RBP4 P02753 3/20 0.34
AOC3 Q16853 6/20 0.34
HTR1D P28221 1/20 0.31
HTR1B P28222 1/20 0.31

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
SCHEMBL1337180 0.91 AOC3 (0.35) CACNA1BAOC3
SCHEMBL1337338 0.86 HSD11B1 (0.39) CACNA1B
SCHEMBL1337326 0.85 KDM4E (0.38) NOTUMCACNA1B
SCHEMBL1337287 0.82 NOTUM (0.42) NOTUMCACNA1B
SCHEMBL1337119 0.82 CACNA1B (0.35) CACNA1B
SCHEMBL1335234 0.82 NOTUM (0.37) NOTUMCACNA1B
SCHEMBL16498038 0.81 CACNA1B (0.37) CACNA1B
SCHEMBL16497723 0.81 CACNA1B (0.55) NOTUMCACNA1B
SCHEMBL1337573 0.80 GRM1 (0.40) CACNA1B
SCHEMBL1336446 0.80 DRD3 (0.38)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110281870-A1 NOVEL SUBSTITUTED OCTAHYDROCYCLOPENTA[C]PYRROL-4-AMINES AS CALCIUM CHANNEL BLOCKERS ABBOTT LABORATORIES (US) 2011-11-17 US claimed
US-20110281870-A1 NOVEL SUBSTITUTED OCTAHYDROCYCLOPENTA[C]PYRROL-4-AMINES AS CALCIUM CHANNEL BLOCKERS ABBOTT LABORATORIES (US) 2011-11-17 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-20110281870-A1 NOVEL SUBSTITUTED OCTAHYDROCYCLOPENTA[C]PYRROL-4-AMINES AS CALCIUM CHANNEL BLOCKERS CACNA1C, ORAI1, CACNA1S NOTUM 3350/4885CACNA1B 5/4885RBP4 4079/4885

“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.