SCHEMBL1867388

SCHEMBL1867388

COCCNc1cc(C(F)(F)F)c(-c2cnc3c(Nc4ccc(C(F)(F)F)cn4)ccnc3n2)nn1

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 18/20 0.62
MAOA P21397 1/20 0.58
KCNH2 Q12809 1/20 0.58
MAPK3 P27361 1/20 0.45
CYP1A2 P05177 2/20 0.38
CYP2C19 P33261 2/20 0.38
GLA P06280 1/20 0.38
CYP2C9 P11712 1/20 0.38
CLK4 Q9HAZ1 1/20 0.38
KDM4E B2RXH2 1/20 0.36
CYP3A4 P08684 1/20 0.36
ALOX15 P16050 1/20 0.36
TSHR P16473 1/20 0.36
HSD17B10 Q99714 1/20 0.36
TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL1861014 0.95 TRPV1 (0.61) TRPV1MAOAKCNH2MAPK3HSD17B10
SCHEMBL1858412 0.92 TRPV1 (0.61) TRPV1MAOAKCNH2MAPK3
SCHEMBL1867159 0.91 TRPV1 (0.65) TRPV1MAOAKCNH2MAPK3
SCHEMBL14123530 0.90 TRPV1 (0.60) TRPV1MAOAKCNH2MAPK3
SCHEMBL1861337 0.89 TRPV1 (0.63) TRPV1MAOAKCNH2MAPK3
SCHEMBL1857974 0.89 TRPV1 (0.65) TRPV1MAOAKCNH2MAPK3
SCHEMBL4984665 0.89 TRPV1 (0.67) TRPV1MAOAKCNH2MAPK3
SCHEMBL1858383 0.89 TRPV1 (0.62) TRPV1MAOAKCNH2MAPK3
SCHEMBL1865385 0.89 TRPV1 (0.62) TRPV1MAOAKCNH2MAPK3
SCHEMBL1862988 0.89 TRPV1 (0.62) TRPV1MAOAKCNH2MAPK3

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 7 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-20080175794-A1 Substituted Pyridazinyl- and Pyrimidinyl-Quinolin-4-Ylamine Analogues NEUROGEN CORPORATION (US) 2008-07-24 US disclosed
US-20080175794-A1 Substituted Pyridazinyl- and Pyrimidinyl-Quinolin-4-Ylamine Analogues NEUROGEN CORPORATION (US) 2008-07-24 US disclosed
US-20080175794-A1 Substituted Pyridazinyl- and Pyrimidinyl-Quinolin-4-Ylamine Analogues NEUROGEN CORPORATION (US) 2008-07-24 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 (2 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 TRPV1 549/4885MAOA 582/4885KCNH2 2767/4885
US-20080175794-A1 Substituted Pyridazinyl- and Pyrimidinyl-Quinolin-4-Ylamine Analogues PIGS, HRH4, GPR68 TRPV1 199/4885MAOA 1216/4885KCNH2 2693/4885

“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.