SCHEMBL67166

SCHEMBL67166

CCC[C@H](N[C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@H]21)C(N)=O

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 5/20 0.44
KCNH2 Q12809 2/20 0.42
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
GRIN2B Q13224 1/20 0.38
ABL1 P00519 1/20 0.38
RIN1 Q13671 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPK1 P28482 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
SCHEMBL66083 1.00 CACNA1B (0.44) CACNA1BKCNH2CYP1A2CYP2C9GRIN2B
SCHEMBL66915 0.90 CACNA1B (0.45) CACNA1BKCNH2GRIN2B
SCHEMBL67295 0.87 CACNA1B (0.51) CACNA1BKCNH2ALDH1A1
SCHEMBL65027 0.83 CACNA1B (0.46) CACNA1BKCNH2GRIN2BALDH1A1
SCHEMBL87455 0.83 CACNA1B (0.46) CACNA1BKCNH2GRIN2BALDH1A1
SCHEMBL65736 0.82 CACNA1B (0.61) CACNA1BKCNH2
SCHEMBL67411 0.82 CACNA1B (0.61) CACNA1BKCNH2
SCHEMBL67022 0.82 CACNA1B (0.61) CACNA1BKCNH2
SCHEMBL66125 0.82 CACNA1B (0.61) CACNA1BKCNH2
SCHEMBL2844911 0.81 CACNA1B (0.53) CACNA1BKCNH2GRIN2B

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 5 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 disclosed
US-20110281870-A1 NOVEL SUBSTITUTED OCTAHYDROCYCLOPENTA[C]PYRROL-4-AMINES AS CALCIUM CHANNEL BLOCKERS ABBOTT LABORATORIES (US) 2011-11-17 US disclosed
EP-2367790-A2 SUBSTITUTED OCTAHYDROCYCLOPENTA(C)PYRROL-4-AMINES AS CALCIUM CHANNEL BLOCKERS Abbott Laboratories (US) 2011-09-28 EP disclosed
WO-2010062927-A2 NOVEL SUBSTITUTED OCTAHYDROCYCLOPENTA(C)PYRROL-4-AMINES AS CALCIUM CHANNEL BLOCKERS ABBOTT LABORATORIES (US) 2010-06-03 WO 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 24/4885CYP1A2 545/4885
US-20110281870-A1 NOVEL SUBSTITUTED OCTAHYDROCYCLOPENTA[C]PYRROL-4-AMINES AS CALCIUM CHANNEL BLOCKERS CACNA1C, ORAI1, CACNA1S CACNA1B 5/4885KCNH2 24/4885CYP1A2 545/4885

“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.