SCHEMBL2701302

SCHEMBL2701302

COc1cccc(-c2c(C)n(Cc3c(F)cccc3C(F)(F)F)c(=O)n(C[C@H](NCCN(C)C)c3ccccc3)c2=O)c1F

nearest known ligand 0.82

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GNRHR P30968 20/20 0.82
CYP3A4 P08684 11/20 0.82
ADRB2 P07550 1/20 0.77
APLNR P35414 1/20 0.77
OPRK1 P41145 1/20 0.77
GLP1R P43220 1/20 0.77
CX3CR1 P49238 1/20 0.77
FFAR4 Q5NUL3 1/20 0.77
GPR119 Q8TDV5 1/20 0.77

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
SCHEMBL1653132 0.91 GNRHR (0.84) GNRHRCYP3A4ADRB2APLNROPRK1
SCHEMBL23193840 0.90 GNRHR (0.86) GNRHRCYP3A4ADRB2APLNROPRK1
SCHEMBL21132899 0.90 GNRHR (0.86) GNRHRCYP3A4ADRB2APLNROPRK1
SCHEMBL1652061 0.89 GNRHR (0.78) GNRHRCYP3A4ADRB2APLNROPRK1
SCHEMBL26928868 0.89 GNRHR (0.83) GNRHRCYP3A4ADRB2APLNROPRK1
SCHEMBL24443368 0.89 GNRHR (0.83) GNRHRCYP3A4ADRB2APLNROPRK1
SCHEMBL30153581 0.89 GNRHR (0.84) GNRHRCYP3A4ADRB2APLNROPRK1
SCHEMBL21694890 0.89 GNRHR (0.82) GNRHRCYP3A4ADRB2APLNROPRK1
SCHEMBL22470201 0.89 GNRHR (0.82) GNRHRCYP3A4ADRB2APLNROPRK1
Elagolix SCHEMBL4677617 0.89 GNRHR (1.00) GNRHRCYP3A4ADRB2APLNROPRK1

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1644342-B1 Arylpyrimidines useful for the treatment of sex hormone-related conditions such as endometriosis, prostate cancer and the like NEUROCRINE BIOSCIENCES INC (US) 2012-05-09 EP claimed
US-7015226-B2 Gonadotropin-releasing hormone receptor antagonists and methods relating thereto NEUROCRINE BIOSCIENCES, INC. (US) 2006-03-21 US claimed
US-20050038056-A1 Gonadotropin-releasing hormone receptor antagonists and methods relating thereto NEUROCRINE BIOSCIENCES, INC. (US) 2005-02-17 US claimed
EP-1644342-B1 Arylpyrimidines useful for the treatment of sex hormone-related conditions such as endometriosis, prostate cancer and the like NEUROCRINE BIOSCIENCES INC (US) 2012-05-09 EP disclosed
US-7229995-B2 Gonadotropin-releasing hormone receptor antagonists and methods relating thereto NEUROCRINE BIOSCIENCES, INC. (US) 2007-06-12 US disclosed
US-7229995-B2 Gonadotropin-releasing hormone receptor antagonists and methods relating thereto NEUROCRINE BIOSCIENCES, INC. (US) 2007-06-12 US disclosed
US-20060122204-A1 Gonadotropin-releasing hormone receptor antagonists and methods relating thereto NEUROCRINE BIOSCIENCES, INC. (US) 2006-06-08 US disclosed
US-7015226-B2 Gonadotropin-releasing hormone receptor antagonists and methods relating thereto NEUROCRINE BIOSCIENCES, INC. (US) 2006-03-21 US disclosed
US-20050038056-A1 Gonadotropin-releasing hormone receptor antagonists and methods relating thereto NEUROCRINE BIOSCIENCES, INC. (US) 2005-02-17 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 (2 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-20050038056-A1 Gonadotropin-releasing hormone receptor antagonists and methods relating thereto GNRHR, GHRHR, LHCGR GNRHR 1/4885CYP3A4 1434/4885ADRB2 421/4885
US-20060122204-A1 Gonadotropin-releasing hormone receptor antagonists and methods relating thereto GNRHR, GHRHR, LHCGR GNRHR 1/4885CYP3A4 1434/4885ADRB2 421/4885

“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.