SCHEMBL4752958

SCHEMBL4752958

[C-]#[N+]c1cc(C)c(-c2cc(C(=O)N(C)c3ccccc3OCCC(=O)O)ccc2Cl)cn1

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 11/20 0.39
RXRA P19793 2/20 0.38
RXRB P28702 2/20 0.38
RORC P51449 4/20 0.36
RORA P35398 1/20 0.36
RORB Q92753 1/20 0.36
FFAR4 Q5NUL3 1/20 0.35
RXRG P48443 1/20 0.34
SLC6A9 P48067 1/20 0.34
LMNA P02545 1/20 0.34

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
SCHEMBL4752951 0.91 GPBAR1 (0.39) GPBAR1RORCRORARORB
SCHEMBL3339509 0.89 RXRA (0.43) GPBAR1RXRARXRBRORCRXRG
SCHEMBL3342453 0.87 GPBAR1 (0.43) GPBAR1RXRARXRBRORCRORA
SCHEMBL30509085 0.85 GPBAR1 (0.41) GPBAR1RXRARXRBRORCFFAR4
SCHEMBL3337482 0.85 GPBAR1 (0.41) GPBAR1RXRARXRBRORCFFAR4
SCHEMBL4752956 0.84 GPBAR1 (0.45) GPBAR1
SCHEMBL16390861 0.84 GPBAR1 (0.41) GPBAR1RXRARXRBRORCFFAR4
SCHEMBL3337349 0.81 GPBAR1 (0.41) GPBAR1RORCFFAR4
SCHEMBL14048690 0.81 FFAR4 (0.40) GPBAR1RXRARXRBRORCFFAR4
SCHEMBL4752965 0.81 RORC (0.34) GPBAR1RORCRORARORBLMNA

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 GPBAR1 76/4885RXRA 289/4885RXRB 256/4885
US-20150183800-A1 GONADOTROPIN-RELEASING HORMONE RECEPTOR ANTAGONISTS AND METHODS RELATING THERETO GNRHR, GHRHR, LHCGR GPBAR1 76/4885RXRA 289/4885RXRB 256/4885
US-20140024665-A1 GONADOTROPIN-RELEASING HORMONE RECEPTOR ANTAGONISTS AND METHODS RELATING THERETO GNRHR, GHRHR, LHCGR GPBAR1 76/4885RXRA 289/4885RXRB 256/4885
US-20100152207-A1 GONADOTROPIN-RELEASING HORMONE RECEPTOR ANTAGONISTS AND METHODS RELATING THERETO GNRHR, GHRHR, LHCGR GPBAR1 76/4885RXRA 290/4885RXRB 261/4885

“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.