SCHEMBL66390

SCHEMBL66390

CC(C)Cc1ccc([C@H](C)C(=O)N[C@H]2CC[C@@H]3CN(Cc4ccccc4)C[C@@H]32)cc1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 4/20 0.51
KCNH2 Q12809 2/20 0.47
TRPV1 Q8NER1 2/20 0.45
CHRM1 P11229 1/20 0.44
PDE4A P27815 1/20 0.44
BCHE P06276 1/20 0.43
ACHE P22303 1/20 0.43
MAPT P10636 2/20 0.43
CRHBP P24387 2/20 0.43
CRHR2 Q13324 2/20 0.43
RAB9A P51151 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
MAPK1 P28482 1/20 0.42
GAA P10253 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CXCR1 P25024 1/20 0.41
CXCR2 P25025 1/20 0.41
ALOX5 P09917 1/20 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
SCHEMBL66288 1.00 CACNA1B (0.51) CACNA1BKCNH2TRPV1CHRM1PDE4A
SCHEMBL66773 0.92 CACNA1B (0.54) CACNA1BKCNH2
SCHEMBL66863 0.92 CACNA1B (0.54) CACNA1BKCNH2
SCHEMBL2420893 0.92 CACNA1B (0.54) CACNA1BKCNH2
SCHEMBL68519 0.92 CACNA1B (0.54) CACNA1BKCNH2
SCHEMBL16498070 0.87 CACNA1B (0.55) CACNA1BKCNH2RAB9A
SCHEMBL65966 0.87 CACNA1B (0.55) CACNA1BKCNH2RAB9A
SCHEMBL16497717 0.87 CACNA1B (0.55) CACNA1BKCNH2RAB9A
SCHEMBL66661 0.87 CACNA1B (0.55) CACNA1BKCNH2RAB9A
SCHEMBL16497733 0.83 CACNA1B (0.51) CACNA1BKCNH2CHRM1

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 24/4885TRPV1 20/4885
US-20110281870-A1 NOVEL SUBSTITUTED OCTAHYDROCYCLOPENTA[C]PYRROL-4-AMINES AS CALCIUM CHANNEL BLOCKERS CACNA1C, ORAI1, CACNA1S CACNA1B 5/4885KCNH2 24/4885TRPV1 20/4885

“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.