SCHEMBL67148

SCHEMBL67148

CCC[C@@H](C(N)=O)N(C)[C@H]1CC[C@@H]2CN(S(=O)(=O)c3cccc(Cl)c3Cl)C[C@@H]21

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 2/20 0.40
TSHR P16473 1/20 0.38
BDKRB1 P46663 3/20 0.38
F10 P00742 1/20 0.37
LMNA P02545 2/20 0.36
KMT2A Q03164 1/20 0.36
MAPT P10636 2/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
GAA P10253 1/20 0.35
PKM P14618 1/20 0.35
CACNA1B Q00975 1/20 0.34
ROCK2 O75116 3/20 0.34
ROCK1 Q13464 3/20 0.34
AKR1C3 P42330 1/20 0.34
F2 P00734 1/20 0.34

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
SCHEMBL67422 0.84 EPHX2 (0.40) LMNAKMT2AMAPTPKMCACNA1B
SCHEMBL67478 0.83 HPGD (0.40) F10LMNAKMT2ACACNA1B
SCHEMBL65454 0.82 CACNA1B (0.42) CACNA1B
SCHEMBL67419 0.82 MEN1 (0.43) TSHRLMNAKMT2AKDM4EALDH1A1
SCHEMBL66689 0.80 MEN1 (0.43) LMNAKMT2ACACNA1BAKR1C3
SCHEMBL67585 0.80 CACNA1B (0.42) LMNAKMT2AALDH1A1GAACACNA1B
SCHEMBL67316 0.80 CACNA1B (0.34) MAPTALDH1A1PKMCACNA1B
SCHEMBL66907 0.80 CACNA1B (0.47) KMT2ACACNA1B
SCHEMBL66028 0.80 CACNA1B (0.43) TSHRKMT2AALDH1A1GAACACNA1B
SCHEMBL65654 0.79 CACNA1B (0.44) TSHRKMT2AMAPTALDH1A1CACNA1B

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 CHRM1 92/4885TSHR 1768/4885BDKRB1 194/4885
US-20110281870-A1 NOVEL SUBSTITUTED OCTAHYDROCYCLOPENTA[C]PYRROL-4-AMINES AS CALCIUM CHANNEL BLOCKERS CACNA1C, ORAI1, CACNA1S CHRM1 92/4885TSHR 1768/4885BDKRB1 194/4885

“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.