SCHEMBL67714

SCHEMBL67714

CC(C)(C)OC(=O)N1CCCC[C@H]1C(=O)N[C@@H]1CC[C@H]2CN(S(=O)(=O)c3ccc(C(F)(F)F)cc3)C[C@H]21

nearest known ligand 0.58

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 13/20 0.58
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
EPHX2 P34913 2/20 0.47
GAA P10253 1/20 0.44
HSD11B1 P28845 1/20 0.44
WNT3 P56703 2/20 0.41
SFRP1 Q8N474 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
SCHEMBL67534 0.92 KMT2A (0.48) CACNA1BMEN1KMT2AEPHX2HSD11B1
SCHEMBL66925 0.91 CACNA1B (0.57) CACNA1BMEN1KMT2AGAA
SCHEMBL66012 0.91 CACNA1B (0.57) CACNA1BMEN1KMT2AGAA
SCHEMBL1336673 0.88 CACNA1B (0.58) CACNA1BEPHX2GAA
SCHEMBL66781 0.88 CACNA1B (0.58) CACNA1BMEN1KMT2AGAA
SCHEMBL65628 0.88 CACNA1B (0.58) CACNA1BMEN1KMT2AGAA
SCHEMBL66782 0.88 CACNA1B (0.58) CACNA1BMEN1KMT2AGAA
SCHEMBL65629 0.88 CACNA1B (0.58) CACNA1BMEN1KMT2AGAA
SCHEMBL66167 0.84 CACNA1B (0.47) CACNA1BMEN1KMT2A
SCHEMBL2844339 0.78 CACNA1B (0.60) CACNA1B

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 5/4885MEN1 1286/4885KMT2A 3363/4885
US-20110281870-A1 NOVEL SUBSTITUTED OCTAHYDROCYCLOPENTA[C]PYRROL-4-AMINES AS CALCIUM CHANNEL BLOCKERS CACNA1C, ORAI1, CACNA1S CACNA1B 5/4885MEN1 1286/4885KMT2A 3363/4885

“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.