SCHEMBL66925

SCHEMBL66925

CC(C)(C)OC(=O)N1CCCC[C@H]1C(=O)N[C@@H]1CC[C@H]2CN(S(=O)(=O)c3cccc(C(F)(F)F)c3)C[C@H]21

nearest known ligand 0.57

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 12/20 0.57
POLB P06746 1/20 0.44
CNR1 P21554 1/20 0.43
LMNA P02545 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
GAA P10253 1/20 0.42

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
SCHEMBL66012 1.00 CACNA1B (0.57) CACNA1BPOLBCNR1LMNASMN1; SMN2
SCHEMBL65628 0.98 CACNA1B (0.58) CACNA1BPOLBLMNASMN1; SMN2KMT2A
SCHEMBL66781 0.98 CACNA1B (0.58) CACNA1BPOLBLMNASMN1; SMN2KMT2A
SCHEMBL65629 0.98 CACNA1B (0.58) CACNA1BPOLBLMNASMN1; SMN2KMT2A
SCHEMBL66782 0.98 CACNA1B (0.58) CACNA1BPOLBLMNASMN1; SMN2KMT2A
SCHEMBL67714 0.91 CACNA1B (0.58) CACNA1BKMT2AMEN1GAA
SCHEMBL2422335 0.89 CACNA1B (0.60) CACNA1BPOLBCNR1LMNASMN1; SMN2
SCHEMBL2844339 0.89 CACNA1B (0.60) CACNA1BPOLBCNR1LMNASMN1; SMN2
SCHEMBL66972 0.86 CACNA1B (0.56) CACNA1BLMNASMN1; SMN2GAA
SCHEMBL16497986 0.86 CACNA1B (0.61) CACNA1BPOLBCNR1LMNASMN1; SMN2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110281870-A1 NOVEL SUBSTITUTED OCTAHYDROCYCLOPENTA[C]PYRROL-4-AMINES AS CALCIUM CHANNEL BLOCKERS ABBOTT LABORATORIES (US) 2011-11-17 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 5/4885POLB 3123/4885CNR1 103/4885
US-20110281870-A1 NOVEL SUBSTITUTED OCTAHYDROCYCLOPENTA[C]PYRROL-4-AMINES AS CALCIUM CHANNEL BLOCKERS CACNA1C, ORAI1, CACNA1S CACNA1B 5/4885POLB 3123/4885CNR1 103/4885

“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.