SCHEMBL66775

SCHEMBL66775

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

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 8/20 0.46
KCNH2 Q12809 10/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
GPR119 Q8TDV5 7/20 0.41
DNMT1 P26358 1/20 0.40
EHMT2 Q96KQ7 1/20 0.40
HIF1A Q16665 1/20 0.38
EPAS1 Q99814 1/20 0.38

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
SCHEMBL68048 1.00 CACNA1B (0.46) CACNA1BKCNH2L3MBTL1GPR119DNMT1
SCHEMBL16497919 1.00 CACNA1B (0.46) CACNA1BKCNH2L3MBTL1GPR119DNMT1
SCHEMBL16497750 0.91 KCNH2 (0.45) CACNA1BKCNH2L3MBTL1GPR119DNMT1
SCHEMBL66477 0.91 KCNH2 (0.45) CACNA1BKCNH2L3MBTL1GPR119DNMT1
SCHEMBL66787 0.90 KCNH2 (0.43) CACNA1BKCNH2L3MBTL1GPR119DNMT1
SCHEMBL16498190 0.90 KCNH2 (0.43) CACNA1BKCNH2L3MBTL1GPR119DNMT1
SCHEMBL65992 0.90 KCNH2 (0.43) CACNA1BKCNH2L3MBTL1GPR119DNMT1
SCHEMBL64772 0.89 CACNA1B (0.59) CACNA1BKCNH2
SCHEMBL66450 0.89 CACNA1B (0.59) CACNA1BKCNH2
SCHEMBL66671 0.89 CACNA1B (0.59) CACNA1BKCNH2

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 24/4885L3MBTL1 2543/4885
US-20110281870-A1 NOVEL SUBSTITUTED OCTAHYDROCYCLOPENTA[C]PYRROL-4-AMINES AS CALCIUM CHANNEL BLOCKERS CACNA1C, ORAI1, CACNA1S CACNA1B 5/4885KCNH2 24/4885L3MBTL1 2543/4885

“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.