SCHEMBL1334985

SCHEMBL1334985

CC(C)C[C@@H](C(N)=O)N(C)[C@H]1CC[C@@H]2CN(c3cccc(Cl)c3)C[C@@H]21

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 1/20 0.42
POLB P06746 1/20 0.39
HTR1A P08908 1/20 0.39
HTR2A P28223 1/20 0.39
HTR7 P34969 1/20 0.39
HTR6 P50406 1/20 0.39
HRH3 Q9Y5N1 1/20 0.37
NOTUM Q6P988 1/20 0.37
NPY5R Q15761 1/20 0.36
ALDH1A1 P00352 1/20 0.36
KMT2A Q03164 1/20 0.36
ACACB O00763 1/20 0.36

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
SCHEMBL1337035 0.90 CACNA1B (0.43) CACNA1BNPY5R
SCHEMBL1336005 0.89 CACNA1B (0.40) CACNA1BHRH3NOTUMNPY5RKMT2A
SCHEMBL1337133 0.89 CACNA1B (0.41) CACNA1BHTR1AHTR7NPY5RALDH1A1
SCHEMBL1336608 0.89 CACNA1B (0.43) CACNA1BNOTUMACACB
SCHEMBL1334959 0.88 NPY5R (0.39) CACNA1BPOLBNPY5RACACB
SCHEMBL1337352 0.87 NOTUM (0.41) CACNA1BHTR7NOTUMNPY5R
SCHEMBL1336566 0.84 CACNA1B (0.39) CACNA1BNPY5RACACB
SCHEMBL1335234 0.83 NOTUM (0.37) CACNA1BHTR1ANOTUM
SCHEMBL1335839 0.83 CACNA1B (0.42) CACNA1BNOTUMNPY5RALDH1A1
SCHEMBL1337287 0.83 NOTUM (0.42) CACNA1BNOTUMACACB

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 5/4885POLB 3123/4885HTR1A 236/4885

“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.