SCHEMBL1335802

SCHEMBL1335802

CCCC[C@H](N[C@H]1CC[C@@H]2CN(c3ccc(C(F)(F)F)cn3)C[C@@H]21)C(=O)NC

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 8/20 0.52
HCRTR1 O43613 4/20 0.46
HCRTR2 O43614 4/20 0.46
SMN1; SMN2 Q16637 2/20 0.42
MAPT P10636 2/20 0.42
LMNA P02545 1/20 0.42
TP53 P04637 1/20 0.42
HPGD P15428 1/20 0.42
HRH3 Q9Y5N1 2/20 0.41
ACACB O00763 1/20 0.41
DPP4 P27487 1/20 0.41
DPP8 Q6V1X1 1/20 0.41
DPP9 Q86TI2 1/20 0.41
DPP7 Q9UHL4 1/20 0.41
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL1335746 0.95 CACNA1B (0.51) CACNA1BHCRTR1HCRTR2SMN1; SMN2MAPT
SCHEMBL1337197 0.89 CACNA1B (0.58) CACNA1BHCRTR1HCRTR2SMN1; SMN2MAPT
SCHEMBL1337227 0.89 CACNA1B (0.58) CACNA1BHCRTR1HCRTR2SMN1; SMN2MAPT
SCHEMBL1335800 0.88 CACNA1B (0.65) CACNA1BHCRTR1HCRTR2ACACB
SCHEMBL1337051 0.84 CACNA1B (0.47) CACNA1BHCRTR1HCRTR2SMN1; SMN2MAPT
SCHEMBL1337060 0.83 CACNA1B (0.48) CACNA1BHCRTR1HCRTR2HRH3ACACB
SCHEMBL1335745 0.82 CACNA1B (0.64) CACNA1BHCRTR1HCRTR2ACACB
SCHEMBL1335994 0.81 CACNA1B (0.64) CACNA1B
SCHEMBL3237975 0.79 CACNA1B (0.53) CACNA1BHCRTR1HCRTR2SMN1; SMN2HPGD
SCHEMBL2840371 0.79 CACNA1B (0.53) CACNA1BHCRTR1HCRTR2SMN1; SMN2HPGD

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-2011149995-A1 NOVEL SUBSTITUTED OCTAHYDROCYCLOPENTA [C]PYRROL-4-AMINES AS CALCIUM CHANNEL BLOCKERS ABBOTT LABORATORIES (US) 2011-12-01 WO claimed
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 CACNA1B 5/4885HCRTR1 268/4885HCRTR2 271/4885

“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.