SCHEMBL1858243

SCHEMBL1858243

O=C(NCCO)c1cnc(-c2ccc3c(Nc4ccc(C(F)(F)F)cn4)ccnc3c2)c(C(F)(F)F)c1

nearest known ligand 0.63

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 16/20 0.63
MAOA P21397 1/20 0.48
KCNH2 Q12809 1/20 0.48
MAPK3 P27361 1/20 0.42
PRKAB2 O43741 1/20 0.41
PRKAG1 P54619 1/20 0.41
PRKAA2 P54646 1/20 0.41
PRKAA1 Q13131 1/20 0.41
PRKAG3 Q9UGI9 1/20 0.41
PRKAG2 Q9UGJ0 1/20 0.41
PRKAB1 Q9Y478 1/20 0.41
GPR52 Q9Y2T5 2/20 0.40
DYRK3 O43781 1/20 0.39
GSK3A P49840 1/20 0.39
GSK3B P49841 1/20 0.39
DYRK1A Q13627 1/20 0.39
CLK4 Q9HAZ1 1/20 0.39
STK17A Q9UEE5 1/20 0.39

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
SCHEMBL12666695 0.90 TRPV1 (0.54) TRPV1MAOAKCNH2MAPK3PRKAB2
SCHEMBL1867232 0.90 TRPV1 (0.49) TRPV1
SCHEMBL1862046 0.89 TRPV1 (0.47) TRPV1MAOAKCNH2GPR52DYRK3
SCHEMBL1862859 0.88 TRPV1 (0.67) TRPV1MAOAKCNH2MAPK3DYRK3
SCHEMBL1863974 0.87 TRPV1 (0.70) TRPV1MAOAKCNH2MAPK3DYRK3
SCHEMBL1862099 0.87 TRPV1 (0.63) TRPV1MAOAKCNH2MAPK3GPR52
SCHEMBL1864308 0.85 TRPV1 (0.62) TRPV1MAOAKCNH2MAPK3PRKAB2
SCHEMBL1866152 0.84 TRPV1 (0.66) TRPV1MAOAKCNH2MAPK3DYRK3
SCHEMBL12666702 0.82 TRPV1 (0.54) TRPV1MAPK3GPR52DYRK3GSK3A
SCHEMBL12664962 0.80 TRPV1 (0.42) TRPV1

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 3 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-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 TRPV1 549/4885MAOA 582/4885KCNH2 2767/4885

“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.