SCHEMBL7848736

SCHEMBL7848736

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

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.41
CTSK P43235 3/20 0.39
CTSL P07711 11/20 0.38
CTSS P25774 10/20 0.38
CTSB P07858 10/20 0.38
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
ROCK2 O75116 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
POLB P06746 1/20 0.36
HPGD P15428 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
SCHEMBL7856656 0.95 EPHX2 (0.43) EPHX2ROCK2
SCHEMBL7856575 0.90 EPHX2 (0.39) EPHX2CTSKCTSLCTSSCTSB
SCHEMBL7855762 0.88 EPHX2 (0.43) EPHX2CTSKCTSLCTSSCTSB
SCHEMBL7859092 0.87 EPHX2 (0.42) EPHX2CTSKCTSLCTSSCTSB
SCHEMBL7859105 0.86 EPHX2 (0.43) EPHX2CTSKCTSLCTSSCTSB
SCHEMBL4389392 0.84 CTSK (0.39) CTSKCTSLCTSSCTSBCYP3A4
SCHEMBL7848739 0.83 HTT (0.43) CTSKCTSLCTSSCTSBCYP3A4
SCHEMBL7857531 0.82 EPHX2 (0.44) EPHX2CTSLCYP2C19ROCK2ALDH1A1
SCHEMBL7856545 0.80 CTSL (0.40) CTSKCTSLCTSSCTSBROCK2
SCHEMBL7848748 0.80 CTSK (0.52) CTSKCTSLCTSSCTSBCYP3A4

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 647/4885CTSL 972/4885

“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.