SCHEMBL1335912

SCHEMBL1335912

CC(C)(C)[C@H](N[C@H]1CC[C@@H]2CN(c3cccc(C(F)(F)F)n3)C[C@@H]21)C(N)=O

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ACACB O00763 11/20 0.44
GRIN2B Q13224 3/20 0.43
HCRTR1 O43613 1/20 0.42
HCRTR2 O43614 1/20 0.42
HRH3 Q9Y5N1 1/20 0.42
CACNA1B Q00975 2/20 0.41
GRM4 Q14833 1/20 0.40
DRD2 P14416 1/20 0.40
DRD3 P35462 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
SCHEMBL1336403 0.84 CACNA1B (0.49) ACACBGRIN2BHCRTR1HCRTR2HRH3
SCHEMBL1335911 0.83 CACNA1B (0.58) ACACBGRIN2BHCRTR1HCRTR2CACNA1B
SCHEMBL1337071 0.83 GRIN2B (0.47) ACACBGRIN2BHCRTR1HCRTR2HRH3
SCHEMBL1336617 0.82 ACACB (0.46) ACACBGRIN2BHCRTR1HCRTR2HRH3
SCHEMBL1336979 0.82 CACNA1B (0.46) ACACBGRIN2BCACNA1B
SCHEMBL1335921 0.80 GRIN2B (0.45) ACACBGRIN2BHCRTR1HCRTR2HRH3
SCHEMBL66587 0.79 CACNA1B (0.59) ACACBGRIN2BCACNA1B
SCHEMBL1336429 0.79 CACNA1B (0.47) ACACBGRIN2BHCRTR1HCRTR2HRH3
SCHEMBL1336615 0.79 CACNA1B (0.51) ACACBGRIN2BCACNA1B
SCHEMBL1334989 0.78 CACNA1B (0.53) ACACBHCRTR1HCRTR2HRH3CACNA1B

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 ACACB 2352/4885GRIN2B 219/4885HCRTR1 268/4885

“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.