SCHEMBL4761189

SCHEMBL4761189

Cc1ccccc1-c1c(NC(=O)C(C)(C)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)ccc2nc(N3CCOCC3)ccc12

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 7/20 0.51
KDM4E B2RXH2 2/20 0.44
GAA P10253 1/20 0.44
MCHR1 Q99705 2/20 0.44
RAF1 P04049 7/20 0.43
BRAF P15056 7/20 0.43
MEN1 O00255 1/20 0.42
RAB9A P51151 1/20 0.42
KMT2A Q03164 1/20 0.42
ALDH1A1 P00352 1/20 0.41
HIF1A Q16665 1/20 0.41

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
SCHEMBL14349115 0.87 MCHR1 (0.46) TACR1KDM4EGAAMCHR1RAF1
SCHEMBL4658238 0.84 KDM4E (0.47) KDM4EGAAMEN1RAB9AKMT2A
SCHEMBL4660444 0.83 TACR1 (0.67) TACR1
SCHEMBL14349132 0.83 TACR1 (0.55) TACR1KDM4EMCHR1RAF1BRAF
SCHEMBL4659141 0.83 MCHR1 (0.42) TACR1KDM4EGAAMCHR1MEN1
SCHEMBL14349114 0.82 TACR1 (0.44) TACR1MCHR1
SCHEMBL4763880 0.81 MET (0.42) TACR1KDM4EGAAMCHR1RAF1
SCHEMBL1399432 0.81 TACR1 (0.70) TACR1RAF1BRAF
SCHEMBL14349117 0.78 TACR1 (0.52) TACR1BRAF
SCHEMBL14349112 0.77 TACR1 (0.48) TACR1KDM4EGAAMCHR1RAF1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1819342-A4 QUINOLINE TACHYKININ RECEPTOR ANTAGONISTS MERCK & CO INC (US) 2008-12-17 EP disclosed
US-20070293492-A1 Quinoline Tachykinin Receptor Antagonists MERCK SHARP & DOHME CORP. 2007-12-20 US disclosed
EP-1819342-A1 QUINOLINE TACHYKININ RECEPTOR ANTAGONISTS Merck & Co., Inc. (US) 2007-08-22 EP disclosed
WO-2006060390-A1 QUINOLINE TACHYKININ RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 2006-06-08 WO 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-20070293492-A1 Quinoline Tachykinin Receptor Antagonists TACR1, TACR2, NPSR1 TACR1 1/4885KDM4E 2973/4885GAA 1131/4885

“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.