SCHEMBL1337201

SCHEMBL1337201

CNC(=O)[C@H](CC(C)C)N[C@H]1CC[C@@H]2CN(c3ccccc3C)C[C@@H]21

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 12/20 0.48
CAPN1 P07384 1/20 0.36
HTR7 P34969 1/20 0.35
MMP1 P03956 2/20 0.35
MMP9 P14780 2/20 0.35
MMP2 P08253 1/20 0.35
MMP3 P08254 1/20 0.35
MMP7 P09237 1/20 0.35
MMP14 P50281 1/20 0.35
ANPEP P15144 1/20 0.35
TSHR P16473 1/20 0.35
GAA P10253 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
SCHEMBL1334918 0.87 CACNA1B (0.54) CACNA1B
SCHEMBL1337198 0.86 CACNA1B (0.65) CACNA1BCAPN1
SCHEMBL1336123 0.84 CACNA1B (0.56) CACNA1B
SCHEMBL1337165 0.84 CACNA1B (0.59) CACNA1BCAPN1
SCHEMBL1335008 0.82 CACNA1B (0.59) CACNA1BCAPN1HTR7
SCHEMBL1337052 0.82 CACNA1B (0.51) CACNA1B
SCHEMBL1337261 0.79 CACNA1B (0.52) CACNA1B
SCHEMBL1337256 0.78 CACNA1B (0.76) CACNA1B
SCHEMBL1337317 0.78 CACNA1B (0.76) CACNA1B
SCHEMBL1336602 0.78 CACNA1B (0.76) CACNA1B

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 CACNA1B 5/4885CAPN1 397/4885HTR7 587/4885

“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.