SCHEMBL1337405

SCHEMBL1337405

CC(C)(C)OC(=O)N1C[C@H](F)C[C@H]1C(=O)N[C@H]1CC[C@@H]2CN(c3cc(C(F)(F)F)ccn3)C[C@@H]21

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ACACB O00763 2/20 0.38
CNR1 P21554 1/20 0.38
CACNA1B Q00975 4/20 0.38
CHRM4 P08173 2/20 0.38
HRH3 Q9Y5N1 1/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37
CHRM2 P08172 1/20 0.37
CHRM1 P11229 1/20 0.37
CHRM3 P20309 1/20 0.37
SYK P43405 4/20 0.36
EIF2AK4 Q9P2K8 1/20 0.36
CCR2 P41597 2/20 0.36
FFAR1 O14842 1/20 0.35

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
SCHEMBL1337403 1.00 ACACB (0.38) ACACBCNR1CACNA1BCHRM4HRH3
SCHEMBL1337445 0.86 CACNA1B (0.53) ACACBCACNA1B
SCHEMBL1337446 0.86 CACNA1B (0.53) ACACBCACNA1B
SCHEMBL1335093 0.78 CACNA1B (0.40) ACACBCNR1CACNA1BCHRM4HRH3
SCHEMBL16498621 0.76 CACNA1B (0.41) CACNA1B
SCHEMBL1336730 0.76 CACNA1B (0.41) CACNA1B
SCHEMBL1336728 0.76 CACNA1B (0.41) CACNA1B
SCHEMBL1336727 0.72 CYP1A2 (0.34)
SCHEMBL16498240 0.72 CYP1A2 (0.34)
SCHEMBL1336138 0.72 CYP1A2 (0.34)

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-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 2352/4885CNR1 103/4885CACNA1B 5/4885

“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.