SCHEMBL66080

SCHEMBL66080

O=C(CC(c1ccc(F)cc1)c1ccc(F)cc1)NC1CCC2CN(Cc3cccc(C(F)(F)F)c3)CC21

nearest known ligand 0.64

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 5/20 0.64
KCNH2 Q12809 2/20 0.64
TACR1 P25103 2/20 0.48
SIGMAR1 Q99720 2/20 0.48
ALDH1A1 P00352 1/20 0.46
BDKRB1 P46663 2/20 0.44
S1PR1 P21453 2/20 0.43
S1PR5 Q9H228 2/20 0.43
GRK5 P34947 1/20 0.43
CDK8 P49336 1/20 0.43
SCN9A Q15858 2/20 0.43
CCR2 P41597 1/20 0.43
UBE2M P61081 1/20 0.43
DCUN1D1 Q96GG9 1/20 0.43
FAAH O00519 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
SCHEMBL66081 1.00 CACNA1B (0.64) CACNA1BKCNH2TACR1SIGMAR1ALDH1A1
SCHEMBL66527 1.00 CACNA1B (0.64) CACNA1BKCNH2TACR1SIGMAR1ALDH1A1
SCHEMBL65902 0.94 CACNA1B (0.67) CACNA1BKCNH2TACR1SIGMAR1S1PR1
SCHEMBL66306 0.94 CACNA1B (0.67) CACNA1BKCNH2TACR1SIGMAR1S1PR1
SCHEMBL65903 0.94 CACNA1B (0.67) CACNA1BKCNH2TACR1SIGMAR1S1PR1
SCHEMBL66363 0.93 CACNA1B (0.66) CACNA1BKCNH2TACR1SIGMAR1ALDH1A1
SCHEMBL65732 0.93 CACNA1B (0.66) CACNA1BKCNH2TACR1SIGMAR1ALDH1A1
SCHEMBL65731 0.93 CACNA1B (0.66) CACNA1BKCNH2TACR1SIGMAR1ALDH1A1
SCHEMBL66890 0.91 CACNA1B (0.63) CACNA1BKCNH2TACR1SIGMAR1ALDH1A1
SCHEMBL65727 0.91 CACNA1B (0.63) CACNA1BKCNH2TACR1SIGMAR1ALDH1A1

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 24/4885TACR1 166/4885
US-20110281870-A1 NOVEL SUBSTITUTED OCTAHYDROCYCLOPENTA[C]PYRROL-4-AMINES AS CALCIUM CHANNEL BLOCKERS CACNA1C, ORAI1, CACNA1S CACNA1B 5/4885KCNH2 24/4885TACR1 166/4885

“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.