SCHEMBL65557

SCHEMBL65557

CC(C)(C)OC(=O)N1CCCC[C@H]1C(=O)N[C@@H]1CC[C@H]2CN(Cc3ccc(F)cc3)C[C@H]21

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.44
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
ALDH1A1 P00352 2/20 0.42
KCNH2 Q12809 2/20 0.41
CACNA1B Q00975 2/20 0.41
LMNA P02545 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
MC4R P32245 1/20 0.39
MC5R P33032 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
SCN4A P35499 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
CACNA1G O43497 1/20 0.37
USP30 Q70CQ3 1/20 0.36

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
SCHEMBL66167 0.92 CACNA1B (0.47) NPC1MEN1KMT2AALDH1A1KCNH2
SCHEMBL66703 0.91 NPC1 (0.45) NPC1MEN1KMT2AALDH1A1KCNH2
SCHEMBL1337347 0.87 KCNH2 (0.43) KMT2AALDH1A1KCNH2CACNA1BSMN1; SMN2
SCHEMBL16498153 0.87 KCNH2 (0.43) KMT2AALDH1A1KCNH2CACNA1BSMN1; SMN2
SCHEMBL67534 0.83 KMT2A (0.48) NPC1MEN1KMT2ACACNA1BLMNA
SCHEMBL1334977 0.79 CACNA1B (0.51) ALDH1A1KCNH2CACNA1B
SCHEMBL16497791 0.79 CACNA1B (0.51) ALDH1A1KCNH2CACNA1B
SCHEMBL16497805 0.79 CACNA1B (0.51) ALDH1A1KCNH2CACNA1B
SCHEMBL1336728 0.79 CACNA1B (0.41) KMT2AKCNH2CACNA1BL3MBTL1
SCHEMBL1336730 0.79 CACNA1B (0.41) KMT2AKCNH2CACNA1BL3MBTL1

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 2 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-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 (1 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 NPC1 750/4885MEN1 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.