SCHEMBL5665458

SCHEMBL5665458

Cc1c(Cc2ccccc2)c(C)n(C(Cc2ccccc2)NC(=O)OC(C)(C)C)c(=O)c1Br

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.44
CTSS P25774 6/20 0.43
CTSK P43235 4/20 0.43
CTSB P07858 2/20 0.43
CTSL P07711 1/20 0.43
AKT1 P31749 1/20 0.43
PPARA Q07869 2/20 0.42
PPARG P37231 1/20 0.42
ACE P12821 1/20 0.41
KLK5 Q9Y337 1/20 0.41
APP P05067 3/20 0.40
MAOA P21397 1/20 0.40
EPHX2 P34913 1/20 0.39

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
SCHEMBL5664486 0.81 GNRHR (0.41) CTSSCTSKCTSBCTSLAKT1
SCHEMBL5663527 0.80 GNRHR (0.46)
SCHEMBL8985017 0.69 ATM (0.61) ATMCTSSCTSKCTSBCTSL
SCHEMBL18569400 0.68 PPARA (0.60) ATMCTSSCTSKCTSBCTSL
SCHEMBL16459752 0.68 CTSS (0.68) ATMCTSSCTSKCTSBCTSL
Dimethylamine SCHEMBL1435916 0.68 ATM (0.60) ATMCTSSCTSKCTSBCTSL
SCHEMBL18435382 0.68 CTSS (0.68) ATMCTSSCTSKCTSBCTSL
SCHEMBL16459753 0.68 CTSS (0.68) ATMCTSSCTSKCTSBCTSL
SCHEMBL12203694 0.68 NPC1 (0.63) ATMCTSSCTSKCTSBCTSL
SCHEMBL7939304 0.68 ATM (0.63) ATMCTSSCTSKCTSBCTSL

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-7081459-B2 Gonadotropin-releasing hormone receptor antagonists and methods relating thereto NEUROCRINE BIOSCIENCES, INC. (US) 2006-07-25 US disclosed
US-20050272733-A1 Gonadotropin-releasing hormone receptor antagonists and methods relating thereto NEUROCRINE BIOSCIENCES, INC. (US) 2005-12-08 US disclosed
US-6921761-B2 Gonadotropin-releasing hormone receptor antagonists and methods relating thereto NEUROCRINE BIOSCIENCES, INC. (US) 2005-07-26 US disclosed
US-20040266773-A1 Gonadotropin-releasing hormone receptor antagonists and methods relating thereto NEUROCRINE BIOSCIENCES, INC. 2004-12-30 US disclosed
US-6750350-B2 THERAPY FOR SEXUAL DISORDERS NEUROCRINE BIOSCIENCES, INC. 2004-06-15 US disclosed
US-20030073693-A1 Gonadotropin-releasing hormone receptor antagonists and methods relating thereto NEUROCRINE BIOSCIENCES, INC. (US) 2003-04-17 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 (3 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-20040266773-A1 Gonadotropin-releasing hormone receptor antagonists and methods relating thereto GNRHR, GHRHR, LHCGR ATM 4794/4885CTSS 1549/4885CTSK 2092/4885
US-20050272733-A1 Gonadotropin-releasing hormone receptor antagonists and methods relating thereto GNRHR, GHRHR, LHCGR ATM 4636/4885CTSS 1817/4885CTSK 2600/4885
US-20030073693-A1 Gonadotropin-releasing hormone receptor antagonists and methods relating thereto GNRHR, GHRHR, LHCGR ATM 4794/4885CTSS 1549/4885CTSK 2092/4885

“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.