SCHEMBL4659141

SCHEMBL4659141

Cc1ccccc1-c1c(NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)ccc2nc(N3CCOCC3)ccc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 2/20 0.42
USP1 O94782 2/20 0.42
WDR48 Q8TAF3 2/20 0.42
PIK3CB P42338 2/20 0.42
TSHR P16473 2/20 0.42
PKM P14618 1/20 0.42
CRHBP P24387 1/20 0.42
HTT P42858 1/20 0.42
CRHR2 Q13324 1/20 0.42
TACR1 P25103 4/20 0.41
ALDH1A1 P00352 3/20 0.41
HPGD P15428 2/20 0.41
KDM4E B2RXH2 2/20 0.41
GAA P10253 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CYP1A2 P05177 2/20 0.41
CYP3A4 P08684 2/20 0.41
CYP2C9 P11712 2/20 0.41
MET P08581 2/20 0.41
LCK P06239 1/20 0.40

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
SCHEMBL4763880 0.92 MET (0.42) MCHR1PIK3CBTSHRPKMCRHBP
SCHEMBL14349115 0.86 MCHR1 (0.46) MCHR1PIK3CBTSHRTACR1HPGD
SCHEMBL14349124 0.83 MCHR1 (0.44) MCHR1TSHRTACR1ALDH1A1HPGD
SCHEMBL4761189 0.83 TACR1 (0.51) MCHR1TACR1ALDH1A1KDM4EGAA
SCHEMBL4660579 0.82 TACR1 (0.48) MCHR1TSHRTACR1ALDH1A1HPGD
SCHEMBL14349128 0.82 MCHR1 (0.50) MCHR1PIK3CBTSHRPKMCRHBP
SCHEMBL14349112 0.79 TACR1 (0.48) MCHR1PIK3CBTSHRTACR1ALDH1A1
SCHEMBL14349116 0.79 TACR1 (0.51) MCHR1TACR1ALDH1A1CYP3A4MAPK1
SCHEMBL4658238 0.77 KDM4E (0.47) TSHRPKMHTTALDH1A1HPGD
SCHEMBL4660444 0.76 TACR1 (0.67) TACR1CYP3A4

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 MCHR1 117/4885USP1 1702/4885WDR48 4320/4885

“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.