SCHEMBL3336860

SCHEMBL3336860

Cc1cc(C(F)(F)F)ncc1-c1cc(C(=O)N(C)c2c(C)cccc2OCCC(=O)O)ccc1Cl

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 11/20 0.39
RORC P51449 4/20 0.39
FFAR4 Q5NUL3 2/20 0.38
RXRA P19793 3/20 0.37
RXRB P28702 3/20 0.37
FFAR1 O14842 1/20 0.36
RXRG P48443 2/20 0.35
PPARG P37231 1/20 0.35
RORA P35398 1/20 0.35
RORB Q92753 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
SCHEMBL3343012 0.91 GPBAR1 (0.38) GPBAR1RORCFFAR4RXRARXRB
SCHEMBL3342453 0.89 GPBAR1 (0.43) GPBAR1RORCFFAR4RXRARXRB
SCHEMBL21803841 0.87 FFAR4 (0.38) GPBAR1RORCFFAR4FFAR1
SCHEMBL3341033 0.85 GPBAR1 (0.37) GPBAR1RORCFFAR4RXRARXRB
SCHEMBL3340635 0.85 RORC (0.37) GPBAR1RORCRXRARXRBRXRG
SCHEMBL3338239 0.84 RORC (0.39) GPBAR1RORCRXRARXRBRXRG
SCHEMBL3337420 0.83 GPBAR1 (0.42) GPBAR1RORCFFAR4FFAR1
SCHEMBL3339726 0.83 RORC (0.41) GPBAR1RORCRXRARXRBRORA
SCHEMBL3340821 0.83 GPBAR1 (0.40) GPBAR1RORCRORARORB
SCHEMBL3338856 0.82 GPBAR1 (0.38) GPBAR1RORC

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 13 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
US-20090069337-A1 3' SUBSTITUTED COMPOUNDS HAVING 5-HT6 RECEPTOR AFFINITY MEMORY PHARMACEUTICALS CORPORATION (US) 2009-03-12 US claimed
WO-2008124610-A1 GONADOTROPIN-RELEASING HORMONE RECEPTOR ANTAGONISTS AND METHODS RELATING THERETO NEUROCRINE BIOSCIENCES, INC. (US) 2008-10-16 WO claimed
US-20080039462-A1 Compounds having 5-HT6 receptor affinity MEMORY PHARMACEUTICALS CORPORATION 2008-02-14 US claimed
US-20100152177-A1 COMPOUNDS HAVING 5-HT6 RECEPTOR AFFINITY MEMORY PHARMACEUTICALS CORPORATION (US) 2010-06-17 US disclosed
US-7696229-B2 Compounds having 5-HT6 receptor affinity MEMORY PHARMACEUTICALS CORPORATION (US) 2010-04-13 US disclosed
US-20090069337-A1 3' SUBSTITUTED COMPOUNDS HAVING 5-HT6 RECEPTOR AFFINITY MEMORY PHARMACEUTICALS CORPORATION (US) 2009-03-12 US disclosed
US-20080039462-A1 Compounds having 5-HT6 receptor affinity MEMORY PHARMACEUTICALS CORPORATION 2008-02-14 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 (5 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-20090069337-A1 3' SUBSTITUTED COMPOUNDS HAVING 5-HT6 RECEPTOR AFFINITY HTR6, HTR3A, HTR3B GPBAR1 254/4885RORC 2517/4885FFAR4 249/4885
US-20150183800-A1 GONADOTROPIN-RELEASING HORMONE RECEPTOR ANTAGONISTS AND METHODS RELATING THERETO GNRHR, GHRHR, LHCGR GPBAR1 76/4885RORC 850/4885FFAR4 235/4885
US-20100152177-A1 COMPOUNDS HAVING 5-HT6 RECEPTOR AFFINITY HTR6, HTR3B, HTR1B GPBAR1 214/4885RORC 3960/4885FFAR4 343/4885
US-20080039462-A1 Compounds having 5-HT6 receptor affinity HTR6, HTR3B, HTR1B GPBAR1 214/4885RORC 3960/4885FFAR4 343/4885
US-20100152207-A1 GONADOTROPIN-RELEASING HORMONE RECEPTOR ANTAGONISTS AND METHODS RELATING THERETO GNRHR, GHRHR, LHCGR GPBAR1 76/4885RORC 857/4885FFAR4 230/4885

“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.