SCHEMBL6478073

SCHEMBL6478073

CC(C)(C)OC(=O)NC(Cc1ccccc1)n1c(=O)c(-c2ccccc2)nn(Cc2c(F)cccc2F)c1=O

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CCKAR P32238 3/20 0.41
CCKBR P32239 3/20 0.41
ACE P12821 1/20 0.40
AKT1 P31749 1/20 0.40
CTSS P25774 6/20 0.39
CTSK P43235 5/20 0.39
CTSB P07858 2/20 0.39
CTSL P07711 1/20 0.39
SCN9A Q15858 5/20 0.39
ATM Q13315 1/20 0.39
ITGA4 P13612 1/20 0.38
ITGB7 P26010 1/20 0.38
APP P05067 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
SCHEMBL6477645 0.89 CCKAR (0.40) CCKARCCKBRACEAKT1CTSS
SCHEMBL6477582 0.88 GNRHR (0.49) CCKARCCKBR
SCHEMBL13995047 0.68 GNRHR (0.52) ATMAPP
SCHEMBL1529787 0.66 PTPN1 (0.55) ACECTSSCTSKCTSBCTSL
SCHEMBL4584520 0.66 PTPN1 (0.55) ACECTSSCTSKCTSBCTSL
SCHEMBL5665458 0.66 ATM (0.44) ACEAKT1CTSSCTSKCTSB
SCHEMBL30928920 0.66 ALDH1A1 (0.53)
SCHEMBL27207214 0.65 PTPN1 (0.52) ACECTSSCTSKCTSBCTSL
SCHEMBL27203728 0.65 PTPN1 (0.52) ACECTSSCTSKCTSBCTSL
SCHEMBL2684894 0.64 CTSS (0.67) ACEAKT1CTSSCTSKCTSB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6951858-B2 Gonadotropin-releasing hormone receptor antagonists and methods relating thereto NEUROCRINE BIOSCIENCES, INC. (US) 2005-10-04 US disclosed
US-20050075339-A1 Gonadotropin-releasing hormone receptor antagonists and methods relating thereto NEUROCRINE BIOSCIENCES, INC. (US) 2005-04-07 US disclosed
EP-1414808-A1 1,2,4-TRIAZIN-3,5-DIONES AS GONADOTROPIN-RELEASING HORMONE RECEPTOR (GNRH) ANTAGONISTS Neurocrine Biosciences, Inc. (US) 2004-05-06 EP disclosed
US-6673796-B2 SEXUAL DISORDERS NEUROCRINE BIOSCIENCES, INC. 2004-01-06 US disclosed
US-20030114455-A1 Gonadotropin-releasing hormone receptor antagonists and methods relating thereto NEUROCRINE BIOSCIENCES, INC. 2003-06-19 US disclosed
WO-2003011841-A1 1,2,4-TRIAZIN-3,5-DIONES AS GONADOTROPIN-RELEASING HORMONE RECEPTOR (GNRH) ANTAGONISTS NEUROCRINE BIOSCIENCES, INC. (US) 2003-02-13 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 (2 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-20030114455-A1 Gonadotropin-releasing hormone receptor antagonists and methods relating thereto GNRHR, GHRHR, LHCGR CCKAR 61/4885CCKBR 70/4885ACE 2262/4885
US-20050075339-A1 Gonadotropin-releasing hormone receptor antagonists and methods relating thereto GNRHR, LHCGR, GHRHR CCKAR 71/4885CCKBR 46/4885ACE 2282/4885

“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.