SCHEMBL65992

SCHEMBL65992

CCC[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 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 13/20 0.43
GPR119 Q8TDV5 10/20 0.42
DNMT1 P26358 1/20 0.40
EHMT2 Q96KQ7 1/20 0.40
CACNA1B Q00975 2/20 0.39
HIF1A Q16665 1/20 0.38
EPAS1 Q99814 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
CCR5 P51681 1/20 0.38
CHRM4 P08173 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
SCHEMBL66787 1.00 KCNH2 (0.43) KCNH2GPR119DNMT1EHMT2CACNA1B
SCHEMBL16498190 1.00 KCNH2 (0.43) KCNH2GPR119DNMT1EHMT2CACNA1B
SCHEMBL16497919 0.90 CACNA1B (0.46) KCNH2GPR119DNMT1EHMT2CACNA1B
SCHEMBL68048 0.90 CACNA1B (0.46) KCNH2GPR119DNMT1EHMT2CACNA1B
SCHEMBL66775 0.90 CACNA1B (0.46) KCNH2GPR119DNMT1EHMT2CACNA1B
SCHEMBL66477 0.89 KCNH2 (0.45) KCNH2GPR119DNMT1EHMT2CACNA1B
SCHEMBL16497750 0.89 KCNH2 (0.45) KCNH2GPR119DNMT1EHMT2CACNA1B
SCHEMBL65435 0.89 CACNA1B (0.51) KCNH2CACNA1BALDH1A1
SCHEMBL69130 0.88 CYP3A4 (0.39) KCNH2GPR119DNMT1EHMT2CACNA1B
SCHEMBL66951 0.87 KDM4E (0.42) KCNH2GPR119DNMT1EHMT2CACNA1B

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 KCNH2 24/4885GPR119 659/4885DNMT1 4352/4885
US-20110281870-A1 NOVEL SUBSTITUTED OCTAHYDROCYCLOPENTA[C]PYRROL-4-AMINES AS CALCIUM CHANNEL BLOCKERS CACNA1C, ORAI1, CACNA1S KCNH2 24/4885GPR119 659/4885DNMT1 4352/4885

“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.