SCHEMBL67534

SCHEMBL67534

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

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.48
MEN1 O00255 1/20 0.48
CACNA1B Q00975 10/20 0.47
MAPT P10636 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
EPHX2 P34913 1/20 0.43
NPC1 O15118 1/20 0.42
HSD11B1 P28845 1/20 0.41
LMNA P02545 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL67714 0.92 CACNA1B (0.58) KMT2AMEN1CACNA1BEPHX2HSD11B1
SCHEMBL1335062 0.87 KMT2A (0.48) KMT2ACACNA1BMAPTTDP1EPHX2
SCHEMBL66925 0.86 CACNA1B (0.57) KMT2AMEN1CACNA1BLMNASMN1; SMN2
SCHEMBL66012 0.86 CACNA1B (0.57) KMT2AMEN1CACNA1BLMNASMN1; SMN2
SCHEMBL65557 0.83 NPC1 (0.44) KMT2AMEN1CACNA1BNPC1LMNA
SCHEMBL65628 0.83 CACNA1B (0.58) KMT2AMEN1CACNA1BLMNASMN1; SMN2
SCHEMBL66781 0.83 CACNA1B (0.58) KMT2AMEN1CACNA1BLMNASMN1; SMN2
SCHEMBL66782 0.83 CACNA1B (0.58) KMT2AMEN1CACNA1BLMNASMN1; SMN2
SCHEMBL65629 0.83 CACNA1B (0.58) KMT2AMEN1CACNA1BLMNASMN1; SMN2
SCHEMBL1336673 0.79 CACNA1B (0.58) CACNA1BTDP1EPHX2

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

“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.