SCHEMBL1867111

SCHEMBL1867111

COCc1cc(Nc2ncc(C(F)(F)F)cn2)c2ncc(-c3nc(C(=O)O)ccc3Cl)nc2n1

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 5/20 0.39
TRPV1 Q8NER1 6/20 0.38
MAOA P21397 1/20 0.34
KCNH2 Q12809 1/20 0.34
FGFR4 P22455 1/20 0.34
LRRK2 Q5S007 3/20 0.33
CTSA P10619 2/20 0.32
MAPK1 P28482 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
LMNA P02545 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
SCHEMBL1858388 0.91 TRPV1 (0.49) MRGPRX4TRPV1MAOAKCNH2
SCHEMBL1862128 0.90 MRGPRX4 (0.40) MRGPRX4TRPV1MAOAKCNH2CTSA
SCHEMBL1860856 0.89 TRPV1 (0.41) MRGPRX4TRPV1FGFR4LRRK2CTSA
SCHEMBL1857549 0.87 TRPV1 (0.41) MRGPRX4TRPV1MAOAKCNH2LRRK2
SCHEMBL1862598 0.86 TRPV1 (0.45) MRGPRX4TRPV1MAOAKCNH2FGFR4
SCHEMBL1866290 0.81 TRPV1 (0.38) MRGPRX4TRPV1FGFR4LRRK2CTSA
SCHEMBL1867816 0.80 TRPV1 (0.49) MRGPRX4TRPV1MAOAKCNH2
SCHEMBL1866320 0.78 TRPV1 (0.59) MRGPRX4TRPV1MAOAKCNH2SMN1; SMN2
SCHEMBL1862355 0.78 MRGPRX4 (0.40) MRGPRX4TRPV1CTSA
SCHEMBL1862452 0.77 TRPV1 (0.46) MRGPRX4TRPV1MAOAKCNH2

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
US-7935702-B2 Substituted biaryl quinolin-4-ylamine analogues NEUROGEN CORPORATION (US) 2011-05-03 US disclosed
US-7935702-B2 Substituted biaryl quinolin-4-ylamine analogues NEUROGEN CORPORATION (US) 2011-05-03 US disclosed
US-7935702-B2 Substituted biaryl quinolin-4-ylamine analogues NEUROGEN CORPORATION (US) 2011-05-03 US disclosed
US-20060111337-A1 Substituted biaryl quinolin-4-ylamine analogues NEUROGEN CORPORATION (US) 2006-05-25 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-20060111337-A1 Substituted biaryl quinolin-4-ylamine analogues PIGS, GPR52, GPR174 MRGPRX4 199/4885TRPV1 549/4885MAOA 582/4885

“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.