SCHEMBL67195

SCHEMBL67195

O=S(=O)(N[C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@H]21)c1cccc(C(F)(F)F)c1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 6/20 0.56
KCNH2 Q12809 2/20 0.56
ALDH1A1 P00352 1/20 0.46
MAPT P10636 1/20 0.46
MCOLN2 Q8IZK6 1/20 0.45
MCOLN3 Q8TDD5 1/20 0.45
MCOLN1 Q9GZU1 1/20 0.45
HTR1A P08908 1/20 0.44
HTR7 P34969 1/20 0.44
PPARG P37231 1/20 0.44
SIGMAR1 Q99720 1/20 0.44
S1PR1 P21453 1/20 0.44
GRK5 P34947 1/20 0.44
CDK8 P49336 1/20 0.44
S1PR5 Q9H228 1/20 0.44
LMNA P02545 1/20 0.44
SCN9A Q15858 2/20 0.43
TSHR P16473 1/20 0.43

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
SCHEMBL66053 1.00 CACNA1B (0.56) CACNA1BKCNH2ALDH1A1MAPTMCOLN2
SCHEMBL16497777 1.00 CACNA1B (0.56) CACNA1BKCNH2ALDH1A1MAPTMCOLN2
SCHEMBL16497925 1.00 CACNA1B (0.56) CACNA1BKCNH2ALDH1A1MAPTMCOLN2
SCHEMBL68060 1.00 CACNA1B (0.56) CACNA1BKCNH2ALDH1A1MAPTMCOLN2
SCHEMBL16497774 1.00 CACNA1B (0.56) CACNA1BKCNH2ALDH1A1MAPTMCOLN2
SCHEMBL66405 0.95 CACNA1B (0.61) CACNA1BKCNH2ALDH1A1PPARGSIGMAR1
SCHEMBL66790 0.95 CACNA1B (0.61) CACNA1BKCNH2ALDH1A1PPARGSIGMAR1
SCHEMBL66404 0.95 CACNA1B (0.61) CACNA1BKCNH2ALDH1A1PPARGSIGMAR1
SCHEMBL65427 0.95 CACNA1B (0.61) CACNA1BKCNH2ALDH1A1PPARGSIGMAR1
SCHEMBL67275 0.92 CACNA1B (0.56) CACNA1BKCNH2ALDH1A1MCOLN2MCOLN3

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 8 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
EP-2367790-A2 SUBSTITUTED OCTAHYDROCYCLOPENTA(C)PYRROL-4-AMINES AS CALCIUM CHANNEL BLOCKERS Abbott Laboratories (US) 2011-09-28 EP disclosed
WO-2010062927-A2 NOVEL SUBSTITUTED OCTAHYDROCYCLOPENTA(C)PYRROL-4-AMINES AS CALCIUM CHANNEL BLOCKERS ABBOTT LABORATORIES (US) 2010-06-03 WO 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 5/4885KCNH2 24/4885ALDH1A1 556/4885
US-20110281870-A1 NOVEL SUBSTITUTED OCTAHYDROCYCLOPENTA[C]PYRROL-4-AMINES AS CALCIUM CHANNEL BLOCKERS CACNA1C, ORAI1, CACNA1S CACNA1B 5/4885KCNH2 24/4885ALDH1A1 556/4885

“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.