SCHEMBL66630

SCHEMBL66630

CC(C)C(C(=O)N[C@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@@H]21)c1ccc(O)cc1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 4/20 0.49
GRIN2B Q13224 3/20 0.47
KCNH2 Q12809 2/20 0.47
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
SIGMAR1 Q99720 1/20 0.41
ACKR3 P25106 1/20 0.40
BCHE P06276 2/20 0.40
ACHE P22303 1/20 0.40
BACE1 P56817 1/20 0.40
HTR4 Q13639 1/20 0.39
ALDH1A1 P00352 1/20 0.39

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
SCHEMBL16497850 1.00 CACNA1B (0.49) CACNA1BGRIN2BKCNH2MEN1KMT2A
SCHEMBL16497753 0.94 CACNA1B (0.52) CACNA1BKCNH2MEN1KMT2AACKR3
SCHEMBL67560 0.94 CACNA1B (0.52) CACNA1BKCNH2MEN1KMT2AACKR3
SCHEMBL2842533 0.94 CACNA1B (0.52) CACNA1BKCNH2MEN1KMT2AACKR3
SCHEMBL2842532 0.94 CACNA1B (0.52) CACNA1BKCNH2MEN1KMT2AACKR3
SCHEMBL65881 0.94 CACNA1B (0.52) CACNA1BKCNH2MEN1KMT2AACKR3
SCHEMBL67094 0.94 CACNA1B (0.52) CACNA1BKCNH2MEN1KMT2AACKR3
SCHEMBL16497798 0.92 CACNA1B (0.49) CACNA1BKCNH2MEN1KMT2ASIGMAR1
SCHEMBL67382 0.92 CACNA1B (0.49) CACNA1BKCNH2MEN1KMT2ASIGMAR1
SCHEMBL66469 0.87 CACNA1B (0.47) CACNA1BKCNH2MEN1KMT2ASIGMAR1

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 5/4885GRIN2B 219/4885KCNH2 24/4885
US-20110281870-A1 NOVEL SUBSTITUTED OCTAHYDROCYCLOPENTA[C]PYRROL-4-AMINES AS CALCIUM CHANNEL BLOCKERS CACNA1C, ORAI1, CACNA1S CACNA1B 5/4885GRIN2B 219/4885KCNH2 24/4885

“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.