SCHEMBL1336719

SCHEMBL1336719

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

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 11/20 0.52
KCNH2 Q12809 2/20 0.46
CTSK P43235 2/20 0.46
CTSL P07711 1/20 0.46
CTSB P07858 1/20 0.46
CTSS P25774 1/20 0.46
AAK1 Q2M2I8 1/20 0.41
KMT2A Q03164 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
SCN9A Q15858 2/20 0.38
REN P00797 1/20 0.38

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
SCHEMBL16497874 1.00 CACNA1B (0.52) CACNA1BKCNH2CTSKCTSLCTSB
SCHEMBL65707 1.00 CACNA1B (0.52) CACNA1BKCNH2CTSKCTSLCTSB
SCHEMBL64743 1.00 CACNA1B (0.52) CACNA1BKCNH2CTSKCTSLCTSB
SCHEMBL64738 1.00 CACNA1B (0.52) CACNA1BKCNH2CTSKCTSLCTSB
SCHEMBL66462 1.00 CACNA1B (0.52) CACNA1BKCNH2CTSKCTSLCTSB
SCHEMBL2843324 0.94 CACNA1B (0.61) CACNA1BKCNH2CTSKCTSLCTSB
SCHEMBL65815 0.92 CACNA1B (0.49) CACNA1BKCNH2CTSKCTSLCTSB
SCHEMBL66391 0.92 CACNA1B (0.49) CACNA1BKCNH2CTSKCTSLCTSB
SCHEMBL64722 0.91 CACNA1B (0.47) CACNA1BKCNH2KMT2AL3MBTL1SCN9A
SCHEMBL66601 0.91 CACNA1B (0.47) CACNA1BKCNH2KMT2AL3MBTL1SCN9A

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 24/4885CTSK 2107/4885

“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.