SCHEMBL66725

SCHEMBL66725

O=C(N[C@H]1CC[C@H]2CN(CCCc3cccc(Cl)c3)C[C@H]21)C(C1CCCCC1)C1CCCCC1

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 5/20 0.61
KCNH2 Q12809 2/20 0.61
EPHX2 P34913 1/20 0.43
NPC1 O15118 2/20 0.40
RAB9A P51151 1/20 0.40
SIGMAR1 Q99720 1/20 0.37
GLA P06280 1/20 0.37
TAAR1 Q96RJ0 1/20 0.37
SLC6A9 P48067 3/20 0.37
MAPT P10636 1/20 0.37
ALOX12 P18054 1/20 0.37
F2 P00734 1/20 0.37
THRB P10828 1/20 0.37
HPGD P15428 1/20 0.37
C3AR1 Q16581 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
SCHEMBL65481 0.89 CACNA1B (0.63) CACNA1BKCNH2SIGMAR1
SCHEMBL66621 0.89 CACNA1B (0.61) CACNA1BKCNH2EPHX2
SCHEMBL65983 0.83 CACNA1B (0.57) CACNA1BKCNH2
SCHEMBL64734 0.82 CACNA1B (0.43) CACNA1BKCNH2SIGMAR1TAAR1MAPT
SCHEMBL66365 0.81 CACNA1B (0.67) CACNA1BKCNH2
SCHEMBL66676 0.81 CACNA1B (0.74) CACNA1BKCNH2SIGMAR1
SCHEMBL66978 0.81 CACNA1B (0.74) CACNA1BKCNH2SIGMAR1
SCHEMBL16497968 0.81 CACNA1B (0.74) CACNA1BKCNH2SIGMAR1
SCHEMBL16497950 0.81 CACNA1B (0.74) CACNA1BKCNH2SIGMAR1
SCHEMBL2840316 0.81 CACNA1B (0.74) CACNA1BKCNH2SIGMAR1

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 5/4885KCNH2 24/4885EPHX2 1564/4885
US-20110281870-A1 NOVEL SUBSTITUTED OCTAHYDROCYCLOPENTA[C]PYRROL-4-AMINES AS CALCIUM CHANNEL BLOCKERS CACNA1C, ORAI1, CACNA1S CACNA1B 5/4885KCNH2 24/4885EPHX2 1564/4885

“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.