SCHEMBL4826136

SCHEMBL4826136

COc1ccc(NCCNC(=O)[C@@H]2CCCC[C@@H]2NC(=O)c2ccccc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CTSS P25774 11/20 0.53
CTSL P07711 9/20 0.51
CTSK P43235 8/20 0.51
SSTR3 P32745 1/20 0.48
MAPT P10636 1/20 0.46
F10 P00742 1/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45

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
SCHEMBL4827345 0.95 SSTR3 (0.53) CTSSCTSLCTSKSSTR3MAPT
SCHEMBL14193428 0.94 CTSS (0.61) CTSSCTSLCTSKSSTR3MAPT
SCHEMBL4825225 0.90 CXCR6 (0.49) CTSSCTSLCTSKSSTR3MAPT
SCHEMBL4801257 0.89 CTSL (0.63) CTSSCTSLCTSK
SCHEMBL4801248 0.89 CTSL (0.63) CTSSCTSLCTSK
SCHEMBL4801265 0.89 CTSL (0.63) CTSSCTSLCTSK
SCHEMBL14193424 0.89 CTSS (0.61) CTSSCTSLCTSKSSTR3NPC1
SCHEMBL4822757 0.88 CTSS (0.52) CTSSCTSLCTSKSSTR3MAPT
SCHEMBL4821234 0.88 SSTR3 (0.47) CTSSCTSLCTSKSSTR3MAPT
SCHEMBL14193423 0.86 SSTR3 (0.43) CTSSCTSLCTSKSSTR3MAPT

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070032484-A1 Cathepsin K inhibitors ROCHE PALO ALTO LLC 2007-02-08 US claimed
US-7358373-B2 Cathepsin K inhibitors ROCHE PALO ALTO LLC (US) 2008-04-15 US disclosed
US-7358373-B2 Cathepsin K inhibitors ROCHE PALO ALTO LLC (US) 2008-04-15 US disclosed
US-7358373-B2 Cathepsin K inhibitors ROCHE PALO ALTO LLC (US) 2008-04-15 US disclosed
US-20070032484-A1 Cathepsin K inhibitors ROCHE PALO ALTO LLC 2007-02-08 US disclosed
US-20070032484-A1 Cathepsin K inhibitors ROCHE PALO ALTO LLC 2007-02-08 US disclosed
US-20070032484-A1 Cathepsin K inhibitors ROCHE PALO ALTO LLC 2007-02-08 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-20070032484-A1 Cathepsin K inhibitors CTSK, CTSS, CTSF CTSS 2/4885CTSL 12/4885CTSK 1/4885

“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.