SCHEMBL1336730

SCHEMBL1336730

CC(C)(C)OC(=O)N1C[C@H](F)C[C@H]1C(=O)N[C@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@@H]21

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 4/20 0.41
KCNH2 Q12809 2/20 0.41
SCN9A Q15858 2/20 0.40
KMT2A Q03164 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
HTRA1 Q92743 1/20 0.38
MCL1 Q07820 1/20 0.37
CFD P00746 2/20 0.36
JAK2 O60674 1/20 0.36
JAK1 P23458 1/20 0.36
STS P08842 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
SCHEMBL1336728 1.00 CACNA1B (0.41) CACNA1BKCNH2SCN9AKMT2AL3MBTL1
SCHEMBL16498621 1.00 CACNA1B (0.41) CACNA1BKCNH2SCN9AKMT2AL3MBTL1
SCHEMBL66703 0.85 NPC1 (0.45) CACNA1BKCNH2KMT2A
SCHEMBL66458 0.80 KMT2A (0.53) CACNA1BKCNH2SCN9AKMT2AL3MBTL1
SCHEMBL14367715 0.80 KMT2A (0.53) CACNA1BKCNH2SCN9AKMT2AL3MBTL1
SCHEMBL66495 0.80 KMT2A (0.53) CACNA1BKCNH2SCN9AKMT2AL3MBTL1
SCHEMBL65557 0.79 NPC1 (0.44) CACNA1BKCNH2KMT2AL3MBTL1
SCHEMBL1337446 0.78 CACNA1B (0.53) CACNA1BKCNH2
SCHEMBL1337445 0.78 CACNA1B (0.53) CACNA1BKCNH2
SCHEMBL66167 0.77 CACNA1B (0.47) CACNA1BKCNH2SCN9AKMT2A

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 1 patent. 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 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-20110281870-A1 NOVEL SUBSTITUTED OCTAHYDROCYCLOPENTA[C]PYRROL-4-AMINES AS CALCIUM CHANNEL BLOCKERS CACNA1C, ORAI1, CACNA1S CACNA1B 5/4885KCNH2 24/4885SCN9A 241/4885

“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.