SCHEMBL66562

SCHEMBL66562

O=C(N[C@H]1CC[C@H]2CN(Cc3ccncc3)C[C@H]21)C(C1CCCCC1)C1CCCCC1

nearest known ligand 0.66

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 5/20 0.66
KCNH2 Q12809 2/20 0.66
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 1/20 0.42
KMT2A Q03164 1/20 0.42
C3AR1 Q16581 1/20 0.41
SIGMAR1 Q99720 1/20 0.40
EPHX1 P07099 2/20 0.40
MAPT P10636 1/20 0.40
CHRM2 P08172 1/20 0.39
CHRM1 P11229 1/20 0.39
CHRM3 P20309 1/20 0.39
HIF1A Q16665 1/20 0.37
EPAS1 Q99814 1/20 0.37
BRD4 O60885 1/20 0.37
ACKR3 P25106 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
SCHEMBL65348 0.89 CACNA1B (0.74) CACNA1BKCNH2ALDH1A1KMT2ASIGMAR1
SCHEMBL16497950 0.89 CACNA1B (0.74) CACNA1BKCNH2ALDH1A1KMT2ASIGMAR1
SCHEMBL2840316 0.89 CACNA1B (0.74) CACNA1BKCNH2ALDH1A1KMT2ASIGMAR1
SCHEMBL16497968 0.89 CACNA1B (0.74) CACNA1BKCNH2ALDH1A1KMT2ASIGMAR1
SCHEMBL66978 0.89 CACNA1B (0.74) CACNA1BKCNH2ALDH1A1KMT2ASIGMAR1
SCHEMBL66676 0.89 CACNA1B (0.74) CACNA1BKCNH2ALDH1A1KMT2ASIGMAR1
SCHEMBL65757 0.88 CACNA1B (0.67) CACNA1BKCNH2ALDH1A1C3AR1SIGMAR1
SCHEMBL67493 0.88 CACNA1B (0.69) CACNA1BKCNH2KDM4EALDH1A1SIGMAR1
SCHEMBL66780 0.88 CACNA1B (0.66) CACNA1BKCNH2KDM4EMEN1ALDH1A1
SCHEMBL66870 0.82 CACNA1B (0.75) CACNA1BKCNH2CHRM2CHRM1CHRM3

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 7 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
WO-2011149995-A1 NOVEL SUBSTITUTED OCTAHYDROCYCLOPENTA [C]PYRROL-4-AMINES AS CALCIUM CHANNEL BLOCKERS ABBOTT LABORATORIES (US) 2011-12-01 WO 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 24/4885KDM4E 2451/4885
US-20110281870-A1 NOVEL SUBSTITUTED OCTAHYDROCYCLOPENTA[C]PYRROL-4-AMINES AS CALCIUM CHANNEL BLOCKERS CACNA1C, ORAI1, CACNA1S CACNA1B 5/4885KCNH2 24/4885KDM4E 2451/4885

“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.