SCHEMBL67626

SCHEMBL67626

CC(C)C(C(=O)N[C@H]1CC[C@@H]2CN(Cc3ccc(F)cc3)C[C@@H]21)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 3/20 0.49
KCNH2 Q12809 2/20 0.47
SLC6A4 P31645 1/20 0.46
SLC6A3 Q01959 1/20 0.46
SIGMAR1 Q99720 3/20 0.42
POLB P06746 1/20 0.42
RAB9A P51151 1/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
ATM Q13315 1/20 0.41
SLC6A12 P48065 1/20 0.40
TMEM97 Q5BJF2 1/20 0.40
MCHR1 Q99705 1/20 0.40
ACKR3 P25106 1/20 0.40
S1PR1 P21453 1/20 0.39
S1PR5 Q9H228 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
SCHEMBL67560 0.93 CACNA1B (0.52) CACNA1BKCNH2MEN1KMT2AACKR3
SCHEMBL2842533 0.93 CACNA1B (0.52) CACNA1BKCNH2MEN1KMT2AACKR3
SCHEMBL16497753 0.93 CACNA1B (0.52) CACNA1BKCNH2MEN1KMT2AACKR3
SCHEMBL2842532 0.93 CACNA1B (0.52) CACNA1BKCNH2MEN1KMT2AACKR3
SCHEMBL67094 0.93 CACNA1B (0.52) CACNA1BKCNH2MEN1KMT2AACKR3
SCHEMBL65881 0.93 CACNA1B (0.52) CACNA1BKCNH2MEN1KMT2AACKR3
SCHEMBL66037 0.90 CACNA1B (0.55) CACNA1BKCNH2SIGMAR1POLBMEN1
SCHEMBL16497970 0.90 CACNA1B (0.57) CACNA1BKCNH2SIGMAR1
SCHEMBL67790 0.90 CACNA1B (0.57) CACNA1BKCNH2SIGMAR1
SCHEMBL67503 0.89 CACNA1B (0.46) CACNA1BKCNH2SIGMAR1MEN1KMT2A

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 5/4885KCNH2 24/4885SLC6A4 432/4885
US-20110281870-A1 NOVEL SUBSTITUTED OCTAHYDROCYCLOPENTA[C]PYRROL-4-AMINES AS CALCIUM CHANNEL BLOCKERS CACNA1C, ORAI1, CACNA1S CACNA1B 5/4885KCNH2 24/4885SLC6A4 432/4885

“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.