SCHEMBL3337741

SCHEMBL3337741

N#Cc1cc2c(C(F)(F)F)cccc2nc1-c1cc(C(=O)CNc2ccccc2OCCC(=O)O)ccc1Cl

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CHRM4 P08173 2/20 0.38
USP1 O94782 9/20 0.38
WDR48 Q8TAF3 9/20 0.38
MAPT P10636 1/20 0.36
PDE10A Q9Y233 3/20 0.34
AR P10275 2/20 0.33
EIF4EBP1 Q13541 2/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL3337313 0.88 ALDH1A1 (0.35) USP1WDR48MAPTPDE10AAR
SCHEMBL3336084 0.87 CHRM4 (0.38) CHRM4PDE10A
SCHEMBL3337744 0.83 CHRM4 (0.41) CHRM4EIF4EBP1
SCHEMBL3340351 0.82 PDE10A (0.40) CHRM4PDE10A
SCHEMBL3338808 0.81 MAPT (0.36) MAPTAR
SCHEMBL3339867 0.79 PDE10A (0.35) PDE10AAREIF4EBP1
SCHEMBL3338195 0.77 FABP3 (0.34) MAPTEIF4EBP1
SCHEMBL14048760 0.77 CHRM4 (0.41) CHRM4MAPTPDE10A
SCHEMBL3334994 0.76 FABP3 (0.34) USP1WDR48MEN1KMT2A
SCHEMBL3337316 0.74 GPBAR1 (0.34) CHRM4AREIF4EBP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9422310-B2 Gonadotropin-releasing hormone receptor antagonists and methods relating thereto NEUROCRINE BIOSCIENCES, INC. (US) 2016-08-23 US disclosed
US-20150183800-A1 GONADOTROPIN-RELEASING HORMONE RECEPTOR ANTAGONISTS AND METHODS RELATING THERETO NEUROCRINE BIOSCIENCES, INC. 2015-07-02 US disclosed
US-8952161-B2 Gonadotropin-releasing hormone receptor antagonists and methods relating thereto NEUROCRINE BIOSCIENCES, INC. (US) 2015-02-10 US disclosed
US-20140024665-A1 GONADOTROPIN-RELEASING HORMONE RECEPTOR ANTAGONISTS AND METHODS RELATING THERETO NEUROCRINE BIOSCIENCES, INC. 2014-01-23 US disclosed
US-8481738-B2 Gonadotropin-releasing hormone receptor antagonists and methods relating thereto NEUROCRINE BIOSCIENCES, INC. (US) 2013-07-09 US disclosed
US-20120122891-A1 GONADOTROPIN-RELEASING HORMONE RECEPTOR ANTAGONISTS AND METHODS RELATING THERETO NEUROCRINE BIOSCIENCES, INC. (US) 2012-05-17 US disclosed
US-8084614-B2 Gonadotropin-releasing hormone receptor antagonists and methods relating thereto NEUROCRINE BIOSCIENCES, INC. (US) 2011-12-27 US disclosed
US-20100152207-A1 GONADOTROPIN-RELEASING HORMONE RECEPTOR ANTAGONISTS AND METHODS RELATING THERETO NEUROCRINE BIOSCIENCES, INC. 2010-06-17 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 (4 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-20120122891-A1 GONADOTROPIN-RELEASING HORMONE RECEPTOR ANTAGONISTS AND METHODS RELATING THERETO GNRHR, GHRHR, LHCGR CHRM4 347/4885USP1 1837/4885WDR48 3111/4885
US-20150183800-A1 GONADOTROPIN-RELEASING HORMONE RECEPTOR ANTAGONISTS AND METHODS RELATING THERETO GNRHR, GHRHR, LHCGR CHRM4 347/4885USP1 1837/4885WDR48 3111/4885
US-20140024665-A1 GONADOTROPIN-RELEASING HORMONE RECEPTOR ANTAGONISTS AND METHODS RELATING THERETO GNRHR, GHRHR, LHCGR CHRM4 347/4885USP1 1837/4885WDR48 3111/4885
US-20100152207-A1 GONADOTROPIN-RELEASING HORMONE RECEPTOR ANTAGONISTS AND METHODS RELATING THERETO GNRHR, GHRHR, LHCGR CHRM4 351/4885USP1 1843/4885WDR48 3111/4885

“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.