SCHEMBL4753006

SCHEMBL4753006

COc1cc(Cl)c(-c2cnc(C)cc2C#N)cc1C(=O)N(C)c1c(C)cccc1C

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
S1PR4 O95977 2/20 0.38
SCN9A Q15858 3/20 0.35
ALDH1A1 P00352 2/20 0.35
PDE4A P27815 1/20 0.35
PDE4B Q07343 1/20 0.35
PDE4C Q08493 1/20 0.35
PDE4D Q08499 1/20 0.35
POLQ O75417 4/20 0.35
GPBAR1 Q8TDU6 2/20 0.34
SRC P12931 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
LMNA P02545 1/20 0.34
GAA P10253 1/20 0.34
ULK1 O75385 1/20 0.34
SCN5A Q14524 1/20 0.33
CHRNA7 P36544 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
SCHEMBL3342070 0.89 GPBAR1 (0.36) S1PR4SCN9AALDH1A1GPBAR1MEN1
SCHEMBL4752980 0.88 CHEK1 (0.34) S1PR4SCN9AALDH1A1POLQGPBAR1
SCHEMBL4752977 0.88 S1PR4 (0.33) S1PR4SCN9AALDH1A1POLQGPBAR1
SCHEMBL4752975 0.87 GPBAR1 (0.34) S1PR4SCN9APOLQGPBAR1SRC
SCHEMBL4753005 0.87 GPBAR1 (0.47) SCN9AALDH1A1POLQGPBAR1MEN1
SCHEMBL3335201 0.82 SCN9A (0.35) S1PR4SCN9AALDH1A1PDE4APDE4B
SCHEMBL3336919 0.82 S1PR4 (0.33) S1PR4SCN9AALDH1A1PDE4APDE4B
SCHEMBL3338825 0.80 CHEK1 (0.35) S1PR4SCN9ASRC
SCHEMBL16858703 0.79 GPBAR1 (0.42) GPBAR1MEN1KMT2A
SCHEMBL3335881 0.78 GPBAR1 (0.40) GPBAR1

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 10 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-10941159-B2 Gonadotropin-releasing hormone receptor antagonists and methods relating thereto NEUROCRINE BIOSCIENCES, INC. (US) 2021-03-09 US disclosed
US-20200095259-A1 GONADOTROPIN-RELEASING HORMONE RECEPTOR ANTAGONISTS AND METHODS RELATING THERETO NEUROCRINE BIOSCIENCES, INC. 2020-03-26 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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (7 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 S1PR4 359/4885SCN9A 2480/4885ALDH1A1 2850/4885
US-20120122891-A1 GONADOTROPIN-RELEASING HORMONE RECEPTOR ANTAGONISTS AND METHODS RELATING THERETO GNRHR, GHRHR, LHCGR S1PR4 359/4885SCN9A 2480/4885ALDH1A1 2850/4885
US-20150183800-A1 GONADOTROPIN-RELEASING HORMONE RECEPTOR ANTAGONISTS AND METHODS RELATING THERETO GNRHR, GHRHR, LHCGR S1PR4 359/4885SCN9A 2480/4885ALDH1A1 2850/4885
US-11713324-B2 Gonadotropin-releasing hormone receptor antagonists and methods relating thereto GNRHR, GHRHR, LHCGR S1PR4 359/4885SCN9A 2480/4885ALDH1A1 2850/4885
US-10941159-B2 Gonadotropin-releasing hormone receptor antagonists and methods relating thereto GNRHR, GHRHR, LHCGR S1PR4 359/4885SCN9A 2480/4885ALDH1A1 2850/4885
US-20140024665-A1 GONADOTROPIN-RELEASING HORMONE RECEPTOR ANTAGONISTS AND METHODS RELATING THERETO GNRHR, GHRHR, LHCGR S1PR4 359/4885SCN9A 2480/4885ALDH1A1 2850/4885
US-20200095259-A1 GONADOTROPIN-RELEASING HORMONE RECEPTOR ANTAGONISTS AND METHODS RELATING THERETO GNRHR, GHRHR, LHCGR S1PR4 359/4885SCN9A 2480/4885ALDH1A1 2850/4885

“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.