SCHEMBL6541799

SCHEMBL6541799

COCNC(=O)C(NC(=O)OC(C)(C)C)C(c1ccccc1)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CTSS P25774 9/20 0.53
CTSK P43235 9/20 0.53
CTSL P07711 1/20 0.46
CTSB P07858 1/20 0.46
MAPT P10636 1/20 0.45
CA2 P00918 1/20 0.43
ATM Q13315 1/20 0.42

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
SCHEMBL4891125 0.83 CTSK (0.50) CTSSCTSKCTSLCTSBMAPT
SCHEMBL4891122 0.83 CTSK (0.50) CTSSCTSKCTSLCTSBMAPT
SCHEMBL3640282 0.83 CTSK (0.52) CTSSCTSKCTSLCTSBMAPT
SCHEMBL3640281 0.83 CTSK (0.52) CTSSCTSKCTSLCTSBMAPT
SCHEMBL6335150 0.82 CTSK (0.50) CTSSCTSKCTSLCTSB
SCHEMBL29701907 0.82 CTSK (0.51) CTSSCTSKCTSLCTSBMAPT
SCHEMBL29702002 0.82 CTSK (0.51) CTSSCTSKCTSLCTSBMAPT
SCHEMBL8461987 0.82 MEN1 (0.60) CTSSCTSK
SCHEMBL1883313 0.81 CTSK (0.50) CTSSCTSKCTSLCTSBMAPT
SCHEMBL2187825 0.81 CTSK (0.52) CTSSCTSKCTSLCTSBMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6787543-B2 PREPARATION OF TACHYKININ ANTAGONISTS; SUBSTITUTED NITROGEN-CONTAINING HETEROCYCLES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-09-07 US disclosed
US-20030176430-A1 Benzhydryl derivatives ASTELLAS PHARMA INC. (JP) 2003-09-18 US disclosed
EP-1294700-A2 BENZHYDRYL DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-03-26 EP disclosed
WO-2002000631-A2 BENZHYDRYL DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-01-03 WO 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-20030176430-A1 Benzhydryl derivatives BDKRB1, BDKRB2, TACR1 CTSS 1007/4885CTSK 568/4885CTSL 606/4885

“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.