SCHEMBL16858697

SCHEMBL16858697

COc1cc(Cl)c(-c2c(C#N)ccnc2C(F)(F)F)cc1C(=O)N(C)c1cccc2nc(CC(=O)O)oc12

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 7/20 0.33
CTSA P10619 5/20 0.33
EIF4EBP1 Q13541 4/20 0.33
NR1H4 Q96RI1 2/20 0.32
HCRTR1 O43613 1/20 0.31
HCRTR2 O43614 1/20 0.31
ALDH1A1 P00352 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
SCHEMBL3334200 0.86 GPBAR1 (0.33) GPBAR1EIF4EBP1
SCHEMBL16858696 0.86 ALDH1A1 (0.35) CTSAEIF4EBP1ALDH1A1
SCHEMBL3338449 0.80 GPBAR1 (0.33) GPBAR1EIF4EBP1
SCHEMBL23800948 0.74 GPBAR1 (0.35) GPBAR1HCRTR1HCRTR2
SCHEMBL31683715 0.74 GPBAR1 (0.35) GPBAR1HCRTR1HCRTR2
SCHEMBL3334198 0.74 IGF1R (0.34) EIF4EBP1ALDH1A1
SCHEMBL3338412 0.73 GPBAR1 (0.36) GPBAR1
SCHEMBL3337316 0.69 GPBAR1 (0.34) GPBAR1EIF4EBP1
SCHEMBL16390811 0.68 GPBAR1 (0.40) GPBAR1
SCHEMBL3340027 0.68 GPBAR1 (0.35) GPBAR1EIF4EBP1

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 76/4885CTSA 900/4885EIF4EBP1 3982/4885

“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.