SCHEMBL3340713

SCHEMBL3340713

COc1cccc(F)c1CNC(=O)c1cc(-c2cnc(C(F)(F)F)cc2C#N)c(Cl)cc1OCCCC(=O)O

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 5/20 0.43
ROCK1 Q13464 5/20 0.43
RIPK1 Q13546 4/20 0.41
AKR1B1 P15121 1/20 0.38
PPARA Q07869 2/20 0.37
PPARG P37231 1/20 0.37
PDE4B Q07343 2/20 0.36
PDE11A Q9HCR9 2/20 0.36
P2RX7 Q99572 3/20 0.36
FFAR4 Q5NUL3 1/20 0.36
GCGR P47871 1/20 0.36
PPARD Q03181 1/20 0.35

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
SCHEMBL3337446 0.93 EZH2 (0.37) ROCK2ROCK1AKR1B1PPARAPPARG
SCHEMBL3338976 0.90 EZH2 (0.38) ROCK2ROCK1RIPK1AKR1B1PPARA
SCHEMBL3336661 0.89 HPGD (0.41) PPARAPPARGPPARD
SCHEMBL3672797 0.87 ROCK2 (0.39) ROCK2ROCK1RIPK1AKR1B1PPARA
SCHEMBL3343027 0.86 HPGD (0.41) PPARAPPARG
SCHEMBL14048761 0.84 GSK3B (0.40) PPARAPPARGFFAR4GCGRPPARD
SCHEMBL3340715 0.84 GPBAR1 (0.37) FFAR4
SCHEMBL3338822 0.83 EZH2 (0.38) ROCK2ROCK1AKR1B1FFAR4
SCHEMBL3340362 0.83 ROCK2 (0.39) ROCK2ROCK1RIPK1AKR1B1PPARA
SCHEMBL3337190 0.82 ROCK2 (0.37) ROCK2ROCK1PPARAPPARGPDE4B

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-9422310-B2 Gonadotropin-releasing hormone receptor antagonists and methods relating thereto NEUROCRINE BIOSCIENCES, INC. (US) 2016-08-23 US claimed
US-20150183800-A1 GONADOTROPIN-RELEASING HORMONE RECEPTOR ANTAGONISTS AND METHODS RELATING THERETO NEUROCRINE BIOSCIENCES, INC. 2015-07-02 US claimed
EP-2155194-B1 GONADOTROPIN-RELEASING HORMONE RECEPTOR ANTAGONISTS AND METHODS RELATING THERETO NEUROCRINE BIOSCIENCES INC (US) 2015-01-21 EP claimed
US-8084614-B2 Gonadotropin-releasing hormone receptor antagonists and methods relating thereto NEUROCRINE BIOSCIENCES, INC. (US) 2011-12-27 US claimed
US-20100152207-A1 GONADOTROPIN-RELEASING HORMONE RECEPTOR ANTAGONISTS AND METHODS RELATING THERETO NEUROCRINE BIOSCIENCES, INC. 2010-06-17 US claimed
EP-2155194-A1 GONADOTROPIN-RELEASING HORMONE RECEPTOR ANTAGONISTS AND METHODS RELATING THERETO NEUROCRINE BIOSCIENCES, INC. (US) 2010-02-24 EP claimed
WO-2008124610-A1 GONADOTROPIN-RELEASING HORMONE RECEPTOR ANTAGONISTS AND METHODS RELATING THERETO NEUROCRINE BIOSCIENCES, INC. (US) 2008-10-16 WO claimed

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-20150183800-A1 GONADOTROPIN-RELEASING HORMONE RECEPTOR ANTAGONISTS AND METHODS RELATING THERETO GNRHR, GHRHR, LHCGR ROCK2 1871/4885ROCK1 1601/4885RIPK1 3851/4885
US-20100152207-A1 GONADOTROPIN-RELEASING HORMONE RECEPTOR ANTAGONISTS AND METHODS RELATING THERETO GNRHR, GHRHR, LHCGR ROCK2 1887/4885ROCK1 1619/4885RIPK1 3840/4885

“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.