SCHEMBL4752967

SCHEMBL4752967

Cc1cc(C#N)c(-c2cc(C(=O)N(C)c3ccccc3C)c(OCCCC(=O)O)cc2Cl)cn1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 7/20 0.41
RXRA P19793 1/20 0.37
RXRB P28702 1/20 0.37
TSHR P16473 1/20 0.36
FABP3 P05413 2/20 0.35
ALDH1A1 P00352 1/20 0.35
GAA P10253 1/20 0.35
HPGD P15428 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HSD17B1 P14061 1/20 0.34
HSD17B2 P37059 1/20 0.34
FFAR4 Q5NUL3 2/20 0.34
FFAR1 O14842 1/20 0.34
STS P08842 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
SNCA P37840 1/20 0.33

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
SCHEMBL4752994 0.92 GPBAR1 (0.41) GPBAR1FABP3ALDH1A1GAAHPGD
SCHEMBL3333632 0.90 GPBAR1 (0.39) GPBAR1RXRARXRBFFAR4FFAR1
SCHEMBL31683625 0.90 GPBAR1 (0.39) GPBAR1RXRARXRBFFAR4FFAR1
SCHEMBL4752975 0.88 GPBAR1 (0.34) GPBAR1TSHRFABP3FFAR4FFAR1
SCHEMBL15431638 0.86 GPBAR1 (0.41) GPBAR1RXRARXRBTSHRFABP3
SCHEMBL3337773 0.85 GPBAR1 (0.42) GPBAR1FABP3ALDH1A1GAAHPGD
SCHEMBL23811148 0.84 GPBAR1 (0.40) GPBAR1RXRARXRBTSHRFABP3
SCHEMBL21911786 0.84 GPBAR1 (0.40) GPBAR1RXRARXRBTSHRFABP3
SCHEMBL30993978 0.82 GPBAR1 (0.39) GPBAR1HPGDKMT2A
SCHEMBL3336665 0.82 GPBAR1 (0.39) GPBAR1HPGDKMT2A

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-11713324-B2 Gonadotropin-releasing hormone receptor antagonists and methods relating thereto NEUROCRINE BIOSCIENCES, INC. (US) 2023-08-01 US disclosed
US-10336769-B2 Gonadotropin-releasing hormone receptor antagonists and methods relating thereto NEUROCRINE BIOSCIENCES, INC. (US) 2019-07-02 US disclosed
US-20170320888-A1 GONADOTROPIN-RELEASING HORMONE RECEPTOR ANTAGONISTS AND METHODS RELATING THERETO NEUROCRINE BIOSCIENCES, INC. 2017-11-09 US disclosed
US-20170320888-A1 GONADOTROPIN-RELEASING HORMONE RECEPTOR ANTAGONISTS AND METHODS RELATING THERETO NEUROCRINE BIOSCIENCES, INC. 2017-11-09 US disclosed
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-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

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-20170320888-A1 GONADOTROPIN-RELEASING HORMONE RECEPTOR ANTAGONISTS AND METHODS RELATING THERETO GNRHR, GHRHR, LHCGR GPBAR1 76/4885RXRA 289/4885RXRB 256/4885
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-11713324-B2 Gonadotropin-releasing hormone receptor antagonists and methods relating thereto GNRHR, GHRHR, LHCGR GPBAR1 76/4885RXRA 289/4885RXRB 256/4885
US-10336769-B2 Gonadotropin-releasing hormone receptor antagonists and methods relating thereto GNRHR, GHRHR, LHCGR GPBAR1 76/4885RXRA 289/4885RXRB 256/4885

“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.