SCHEMBL69130

SCHEMBL69130

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

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.39
MAPT P10636 1/20 0.39
MAPK1 P28482 1/20 0.39
KCNH2 Q12809 8/20 0.38
CACNA1B Q00975 5/20 0.38
GPR119 Q8TDV5 5/20 0.38
DNMT1 P26358 1/20 0.37
EHMT2 Q96KQ7 1/20 0.37
HIF1A Q16665 1/20 0.37
EPAS1 Q99814 1/20 0.37
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
TEAD1 P28347 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
SCHEMBL66787 0.88 KCNH2 (0.43) KCNH2CACNA1BGPR119DNMT1EHMT2
SCHEMBL16498190 0.88 KCNH2 (0.43) KCNH2CACNA1BGPR119DNMT1EHMT2
SCHEMBL65992 0.88 KCNH2 (0.43) KCNH2CACNA1BGPR119DNMT1EHMT2
SCHEMBL66951 0.85 KDM4E (0.42) KCNH2CACNA1BGPR119DNMT1EHMT2
SCHEMBL16497800 0.80 CACNA1B (0.57) MAPK1KCNH2CACNA1BALDH1A1
SCHEMBL66096 0.80 CACNA1B (0.57) MAPK1KCNH2CACNA1BALDH1A1
SCHEMBL16497750 0.79 KCNH2 (0.45) KCNH2CACNA1BGPR119DNMT1EHMT2
SCHEMBL66477 0.79 KCNH2 (0.45) KCNH2CACNA1BGPR119DNMT1EHMT2
SCHEMBL68048 0.78 CACNA1B (0.46) KCNH2CACNA1BGPR119DNMT1EHMT2
SCHEMBL66775 0.78 CACNA1B (0.46) KCNH2CACNA1BGPR119DNMT1EHMT2

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 CYP3A4 1006/4885MAPT 1184/4885MAPK1 1472/4885
US-20110281870-A1 NOVEL SUBSTITUTED OCTAHYDROCYCLOPENTA[C]PYRROL-4-AMINES AS CALCIUM CHANNEL BLOCKERS CACNA1C, ORAI1, CACNA1S CYP3A4 1006/4885MAPT 1184/4885MAPK1 1472/4885

“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.