SCHEMBL2701112

SCHEMBL2701112

CC(C)(N)CN[C@@H](Cn1c(=O)c(-c2ccccc2Cl)cn(Cc2c(F)cccc2C(F)(F)F)c1=O)c1ccccc1

nearest known ligand 0.75

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
GNRHR P30968 20/20 0.75
CYP3A4 P08684 11/20 0.75

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
SCHEMBL2701111 1.00 GNRHR (0.75) GNRHRCYP3A4
SCHEMBL2701116 1.00 GNRHR (0.75) GNRHRCYP3A4
SCHEMBL1378898 0.85 GNRHR (1.00) GNRHRCYP3A4
SCHEMBL1378902 0.85 GNRHR (1.00) GNRHRCYP3A4
SCHEMBL2701558 0.85 GNRHR (1.00) GNRHRCYP3A4
SCHEMBL2701563 0.85 GNRHR (1.00) GNRHRCYP3A4
SCHEMBL2701560 0.85 GNRHR (1.00) GNRHRCYP3A4
SCHEMBL2703136 0.85 GNRHR (0.73) GNRHRCYP3A4
SCHEMBL4680261 0.82 GNRHR (0.88) GNRHRCYP3A4
SCHEMBL4680257 0.82 GNRHR (0.88) GNRHRCYP3A4

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 6 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 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 1434/4885
US-20060122204-A1 Gonadotropin-releasing hormone receptor antagonists and methods relating thereto GNRHR, GHRHR, LHCGR GNRHR 1/4885CYP3A4 1434/4885

“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.