SCHEMBL7859092

SCHEMBL7859092

Cc1cc(CNC(=O)C2(NC(=O)c3cc(C(C)(C)C)nc(C(C)(C)C)c3)CCCCC2)no1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.42
CTSK P43235 4/20 0.40
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
CTSL P07711 11/20 0.39
CTSS P25774 10/20 0.39
CTSB P07858 9/20 0.39
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
ADORA2A P29274 1/20 0.37
ADORA1 P30542 1/20 0.37

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
SCHEMBL7859105 0.99 EPHX2 (0.43) EPHX2CTSKCYP3A4CYP2C9CYP2C19
SCHEMBL7857531 0.95 EPHX2 (0.44) EPHX2CYP2C19CTSLNPC1RAB9A
SCHEMBL7855762 0.91 EPHX2 (0.43) EPHX2CTSKCYP3A4CYP2C9CYP2C19
SCHEMBL7848736 0.87 EPHX2 (0.41) EPHX2CTSKCYP3A4CYP2C9CYP2C19
SCHEMBL13636880 0.86 EPHX2 (0.43) EPHX2CYP3A4CYP2C9CYP2C19NPC1
SCHEMBL7856575 0.85 EPHX2 (0.39) EPHX2CTSKCYP3A4CYP2C9CYP2C19
SCHEMBL7856662 0.84 CTSK (0.40) CTSKCYP3A4CYP2C9CYP2C19CTSL
SCHEMBL7848775 0.83 CTSL (0.39) CTSKCYP3A4CYP2C9CYP2C19CTSL
SCHEMBL7856659 0.82 HTT (0.44) CTSKCYP3A4CYP2C9CYP2C19CTSL
SCHEMBL7856656 0.82 EPHX2 (0.43) EPHX2NPC1RAB9AADORA2AADORA1

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
WO-2009132453-A1 CYCLYLAMINE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS NEUROMED PHARMACEUTICALS LTD. (CA) 2009-11-05 WO disclosed
US-20090270394-A1 CYCLYLAMINE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS ZALICUS PHARMACEUTICALS LTD. (CA) 2009-10-29 US disclosed
US-20090270394-A1 CYCLYLAMINE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS ZALICUS PHARMACEUTICALS LTD. (CA) 2009-10-29 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-20090270394-A1 CYCLYLAMINE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS CACNA1G, CACNA1H, CACNA1I EPHX2 4171/4885CTSK 647/4885CYP3A4 1644/4885

“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.