SCHEMBL67493

SCHEMBL67493

O=C(N[C@H]1CC[C@H]2CN(Cc3ccc(F)cc3)C[C@H]21)C(C1CCCCC1)C1CCCCC1

nearest known ligand 0.69

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 3/20 0.69
KCNH2 Q12809 2/20 0.69
CNR1 P21554 9/20 0.44
CNR2 P34972 9/20 0.44
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
SIGMAR1 Q99720 2/20 0.40
CCR3 P51677 1/20 0.40
FAAH O00519 2/20 0.39
PRKAA2 P54646 1/20 0.39
CACNA1G O43497 1/20 0.39

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
SCHEMBL66780 0.90 CACNA1B (0.66) CACNA1BKCNH2CNR1CNR2KDM4E
SCHEMBL2840316 0.89 CACNA1B (0.74) CACNA1BKCNH2CNR1CNR2ALDH1A1
SCHEMBL16497950 0.89 CACNA1B (0.74) CACNA1BKCNH2CNR1CNR2ALDH1A1
SCHEMBL65348 0.89 CACNA1B (0.74) CACNA1BKCNH2CNR1CNR2ALDH1A1
SCHEMBL66676 0.89 CACNA1B (0.74) CACNA1BKCNH2CNR1CNR2ALDH1A1
SCHEMBL66978 0.89 CACNA1B (0.74) CACNA1BKCNH2CNR1CNR2ALDH1A1
SCHEMBL16497968 0.89 CACNA1B (0.74) CACNA1BKCNH2CNR1CNR2ALDH1A1
SCHEMBL65983 0.88 CACNA1B (0.57) CACNA1BKCNH2CNR1CNR2CCR3
SCHEMBL66821 0.88 CACNA1B (0.78) CACNA1BKCNH2KDM4EALDH1A1SIGMAR1
SCHEMBL66562 0.88 CACNA1B (0.66) CACNA1BKCNH2KDM4EALDH1A1SIGMAR1

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 24/4885CNR1 103/4885
US-20110281870-A1 NOVEL SUBSTITUTED OCTAHYDROCYCLOPENTA[C]PYRROL-4-AMINES AS CALCIUM CHANNEL BLOCKERS CACNA1C, ORAI1, CACNA1S CACNA1B 5/4885KCNH2 24/4885CNR1 103/4885

“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.