SCHEMBL4148078

SCHEMBL4148078

Cc1ccc(N(CCc2ccc(C#N)cc2)C(=O)C(NC(=O)OC(C)(C)C)c2ccccc2)cc1C

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CTSS P25774 8/20 0.47
CTSK P43235 6/20 0.47
TP53 P04637 1/20 0.39
CTSB P07858 4/20 0.38
CTSL P07711 1/20 0.38
EP300 Q09472 5/20 0.36
HAT1 O14929 4/20 0.36
PRSS1 P07477 1/20 0.36
CTSG P08311 1/20 0.36
CTRB1 P17538 1/20 0.36
CMA1 P23946 1/20 0.36
PTPN1 P18031 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
SCHEMBL3757131 1.00 CTSS (0.47) CTSSCTSKTP53CTSBCTSL
SCHEMBL3684493 0.89 TP53 (0.44) CTSSCTSKTP53CTSB
SCHEMBL4140566 0.89 TP53 (0.44) CTSSCTSKTP53CTSB
SCHEMBL3646400 0.87 CTSK (0.46) CTSSCTSKTP53CTSBPRSS1
SCHEMBL3646394 0.87 CTSK (0.46) CTSSCTSKTP53CTSBPRSS1
SCHEMBL3646395 0.87 CTSK (0.46) CTSSCTSKTP53CTSBPRSS1
SCHEMBL3644459 0.84 CTSK (0.40) CTSSCTSKTP53
SCHEMBL3804920 0.84 CTSK (0.40) CTSSCTSKTP53
SCHEMBL3804922 0.84 CTSK (0.40) CTSSCTSKTP53
SCHEMBL264421 0.83 CYP3A4 (0.44) CTSSCTSKTP53

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-20090036422-A1 MONOAMIDE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2009-02-05 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-20090036422-A1 MONOAMIDE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS HCRTR2, HCRTR1, MTNR1A CTSS 4504/4885CTSK 4783/4885TP53 4876/4885

“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.