SCHEMBL66504

SCHEMBL66504

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

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 4/20 0.59
GAA P10253 3/20 0.51
HPGD P15428 1/20 0.51
HTT P42858 2/20 0.50
PKM P14618 1/20 0.50
PKLR P30613 1/20 0.50
CNR1 P21554 1/20 0.49
LMNA P02545 2/20 0.45
HTR6 P50406 1/20 0.44
KDM4E B2RXH2 2/20 0.44
HSD11B1 P28845 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C19 P33261 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.42

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
SCHEMBL2426656 1.00 CACNA1B (0.59) CACNA1BGAAHPGDHTTPKM
SCHEMBL66715 1.00 CACNA1B (0.59) CACNA1BGAAHPGDHTTPKM
SCHEMBL2452773 1.00 CACNA1B (0.59) CACNA1BGAAHPGDHTTPKM
SCHEMBL16497782 1.00 CACNA1B (0.59) CACNA1BGAAHPGDHTTPKM
SCHEMBL66682 0.85 CACNA1B (0.57) CACNA1BGAAHSD11B1L3MBTL1
SCHEMBL67385 0.85 CACNA1B (0.57) CACNA1BGAAHSD11B1L3MBTL1
SCHEMBL2419370 0.85 CACNA1B (0.57) CACNA1BGAAHSD11B1L3MBTL1
SCHEMBL16497951 0.85 CACNA1B (0.57) CACNA1BGAAHSD11B1L3MBTL1
SCHEMBL2422009 0.80 CACNA1B (0.72) CACNA1BHTTCNR1LMNA
SCHEMBL2454259 0.79 TRPV4 (0.47) CACNA1BL3MBTL1

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 disclosed
WO-2011149995-A1 NOVEL SUBSTITUTED OCTAHYDROCYCLOPENTA [C]PYRROL-4-AMINES AS CALCIUM CHANNEL BLOCKERS ABBOTT LABORATORIES (US) 2011-12-01 WO 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 5/4885GAA 2205/4885HPGD 1353/4885
US-20110281870-A1 NOVEL SUBSTITUTED OCTAHYDROCYCLOPENTA[C]PYRROL-4-AMINES AS CALCIUM CHANNEL BLOCKERS CACNA1C, ORAI1, CACNA1S CACNA1B 5/4885GAA 2205/4885HPGD 1353/4885

“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.