SCHEMBL66451

SCHEMBL66451

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

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 3/20 0.44
KCNH2 Q12809 2/20 0.44
KDM1A O60341 1/20 0.43
ACHE P22303 2/20 0.42
BCHE P06276 1/20 0.42
BACE1 P56817 1/20 0.42
FUCA1 P04066 2/20 0.41

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
SCHEMBL76455 0.85 KDM1A (0.46) CACNA1BKCNH2KDM1AACHEBCHE
SCHEMBL68520 0.85 KDM1A (0.46) CACNA1BKCNH2KDM1AACHEBCHE
SCHEMBL16497860 0.81 KDM1A (0.48) CACNA1BKCNH2KDM1AACHEBCHE
SCHEMBL2840372 0.81 KDM1A (0.48) CACNA1BKCNH2KDM1AACHEBCHE
SCHEMBL2840370 0.81 KDM1A (0.48) CACNA1BKCNH2KDM1AACHEBCHE
SCHEMBL2850700 0.81 KDM1A (0.48) CACNA1BKCNH2KDM1AACHEBCHE
SCHEMBL19700424 0.80 HTR4 (0.49) ACHEFUCA1
SCHEMBL67767 0.79 CACNA1B (0.52) CACNA1BKCNH2
SCHEMBL16497910 0.79 CACNA1B (0.52) CACNA1BKCNH2
SCHEMBL64928 0.79 CACNA1B (0.55) 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 3 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
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 24/4885KDM1A 1644/4885
US-20110281870-A1 NOVEL SUBSTITUTED OCTAHYDROCYCLOPENTA[C]PYRROL-4-AMINES AS CALCIUM CHANNEL BLOCKERS CACNA1C, ORAI1, CACNA1S CACNA1B 5/4885KCNH2 24/4885KDM1A 1644/4885

“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.