SCHEMBL67157

SCHEMBL67157

CCC[C@@H](C(N)=O)N(C)[C@H]1CC[C@@H]2CN(S(=O)(=O)c3ccc(Br)c(C(F)(F)F)c3)C[C@@H]21

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 13/20 0.42
SMN1; SMN2 Q16637 2/20 0.36
TSHR P16473 1/20 0.36
GAA P10253 2/20 0.33
HPGD P15428 1/20 0.33
ESR1 P03372 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32

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
SCHEMBL67404 0.84 CACNA1B (0.47) CACNA1BGAAHPGD
SCHEMBL67585 0.84 CACNA1B (0.42) CACNA1BGAAHPGDALDH1A1CA1
SCHEMBL65654 0.83 CACNA1B (0.44) CACNA1BTSHRALDH1A1
SCHEMBL67478 0.83 HPGD (0.40) CACNA1BSMN1; SMN2HPGDCA1CA2
SCHEMBL65748 0.82 CACNA1B (0.49) CACNA1BSMN1; SMN2TSHRGAAHPGD
SCHEMBL66689 0.82 MEN1 (0.43) CACNA1BSMN1; SMN2HPGDCA1CA2
SCHEMBL66893 0.82 MAPT (0.44) SMN1; SMN2TSHRALDH1A1
SCHEMBL66907 0.82 CACNA1B (0.47) CACNA1B
SCHEMBL67419 0.80 MEN1 (0.43) CACNA1BSMN1; SMN2TSHRALDH1A1
SCHEMBL66028 0.80 CACNA1B (0.43) CACNA1BSMN1; SMN2TSHRGAAALDH1A1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8129417-B2 Substituted octahydrocyclopenta[C]pyrrol-4-amines as calcium channel blockers ABBOTT LABORATORIES (US) 2012-03-06 US claimed
US-20110281870-A1 NOVEL SUBSTITUTED OCTAHYDROCYCLOPENTA[C]PYRROL-4-AMINES AS CALCIUM CHANNEL BLOCKERS ABBOTT LABORATORIES (US) 2011-11-17 US claimed
US-20100130558-A1 NOVEL SUBSTITUTED OCTAHYDROCYCLOPENTA[C]PYRROL-4-AMINES AS CALCIUM CHANNEL BLOCKERS ABBOTT LABORATORIES (US) 2010-05-27 US claimed
US-8129417-B2 Substituted octahydrocyclopenta[C]pyrrol-4-amines as calcium channel blockers ABBOTT LABORATORIES (US) 2012-03-06 US disclosed
US-20110281870-A1 NOVEL SUBSTITUTED OCTAHYDROCYCLOPENTA[C]PYRROL-4-AMINES AS CALCIUM CHANNEL BLOCKERS ABBOTT LABORATORIES (US) 2011-11-17 US disclosed
US-20100130558-A1 NOVEL SUBSTITUTED OCTAHYDROCYCLOPENTA[C]PYRROL-4-AMINES AS CALCIUM CHANNEL BLOCKERS ABBOTT LABORATORIES (US) 2010-05-27 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 (2 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-20100130558-A1 NOVEL SUBSTITUTED OCTAHYDROCYCLOPENTA[C]PYRROL-4-AMINES AS CALCIUM CHANNEL BLOCKERS CACNA1C, ORAI1, CACNA1S CACNA1B 5/4885SMN1; SMN2 1139/4885TSHR 1768/4885
US-20110281870-A1 NOVEL SUBSTITUTED OCTAHYDROCYCLOPENTA[C]PYRROL-4-AMINES AS CALCIUM CHANNEL BLOCKERS CACNA1C, ORAI1, CACNA1S CACNA1B 5/4885SMN1; SMN2 1139/4885TSHR 1768/4885

“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.