SCHEMBL4752977

SCHEMBL4752977

COc1cccc(C)c1N(C)C(=O)c1cc(-c2cnc(C)cc2C#N)c(Cl)cc1OCCCCO

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR4 O95977 1/20 0.33
GPBAR1 Q8TDU6 2/20 0.33
SCN9A Q15858 2/20 0.33
CTSA P10619 1/20 0.32
POLQ O75417 2/20 0.32
CHRNA7 P36544 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
HPGD P15428 1/20 0.32
CYP2C19 P33261 1/20 0.32
ALDH1A1 P00352 2/20 0.32
CFTR P13569 2/20 0.32
LMNA P02545 1/20 0.31
GAA P10253 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL4752980 0.92 CHEK1 (0.34) S1PR4GPBAR1SCN9APOLQCHRNA7
SCHEMBL4752975 0.92 GPBAR1 (0.34) S1PR4GPBAR1SCN9ACTSAPOLQ
SCHEMBL3336919 0.92 S1PR4 (0.33) S1PR4GPBAR1SCN9ACTSACYP1A2
SCHEMBL3340518 0.90 GPBAR1 (0.34) S1PR4GPBAR1SCN9ACYP1A2CYP3A4
SCHEMBL30509028 0.90 GPBAR1 (0.34) S1PR4GPBAR1SCN9ACYP1A2CYP3A4
SCHEMBL3335201 0.89 SCN9A (0.35) S1PR4GPBAR1SCN9ACTSACHRNA7
SCHEMBL4753006 0.88 S1PR4 (0.38) S1PR4GPBAR1SCN9APOLQCHRNA7
SCHEMBL3338825 0.85 CHEK1 (0.35) S1PR4SCN9ACTSA
SCHEMBL21912115 0.85 CHRNA7 (0.33) S1PR4GPBAR1POLQCHRNA7ALDH1A1
SCHEMBL3337468 0.83 GPBAR1 (0.33) GPBAR1SCN9ACYP1A2CYP3A4CYP2D6

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-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 (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 S1PR4 359/4885GPBAR1 76/4885SCN9A 2480/4885
US-20120122891-A1 GONADOTROPIN-RELEASING HORMONE RECEPTOR ANTAGONISTS AND METHODS RELATING THERETO GNRHR, GHRHR, LHCGR S1PR4 359/4885GPBAR1 76/4885SCN9A 2480/4885
US-20150183800-A1 GONADOTROPIN-RELEASING HORMONE RECEPTOR ANTAGONISTS AND METHODS RELATING THERETO GNRHR, GHRHR, LHCGR S1PR4 359/4885GPBAR1 76/4885SCN9A 2480/4885
US-11713324-B2 Gonadotropin-releasing hormone receptor antagonists and methods relating thereto GNRHR, GHRHR, LHCGR S1PR4 359/4885GPBAR1 76/4885SCN9A 2480/4885
US-20140024665-A1 GONADOTROPIN-RELEASING HORMONE RECEPTOR ANTAGONISTS AND METHODS RELATING THERETO GNRHR, GHRHR, LHCGR S1PR4 359/4885GPBAR1 76/4885SCN9A 2480/4885

“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.