SCHEMBL16858703

SCHEMBL16858703

COc1cc(Cl)c(-c2cnc(C(F)(F)F)cc2C#N)cc1C(=O)N(C)c1ccccc1C

nearest known ligand 0.42

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 18/20 0.42
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
HSD17B1 P14061 1/20 0.37
HSD17B2 P37059 1/20 0.37

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
SCHEMBL30509020 0.93 GPBAR1 (0.45) GPBAR1
SCHEMBL3335022 0.93 GPBAR1 (0.45) GPBAR1
SCHEMBL16390811 0.92 GPBAR1 (0.40) GPBAR1
SCHEMBL3337418 0.91 GPBAR1 (0.41) GPBAR1
SCHEMBL3342070 0.91 GPBAR1 (0.36) GPBAR1MEN1KMT2A
SCHEMBL3333632 0.88 GPBAR1 (0.39) GPBAR1
SCHEMBL31683625 0.88 GPBAR1 (0.39) GPBAR1
SCHEMBL3337747 0.87 GPBAR1 (0.38) GPBAR1
SCHEMBL3339758 0.87 GPBAR1 (0.45) GPBAR1
SCHEMBL3337296 0.86 GPBAR1 (0.42) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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

For each of this compound's patents that has machine-readable text (1 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-20150183800-A1 GONADOTROPIN-RELEASING HORMONE RECEPTOR ANTAGONISTS AND METHODS RELATING THERETO GNRHR, GHRHR, LHCGR GPBAR1 76/4885MEN1 566/4885KMT2A 1468/4885

“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.