SCHEMBL1864308

SCHEMBL1864308

O=C(NCCO)c1cnc(-c2ccc3c(Nc4ccc(C(F)(F)F)cn4)ccnc3n2)c(C(F)(F)F)c1

nearest known ligand 0.62

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 19/20 0.62
MAPK3 P27361 1/20 0.62
MAOA P21397 1/20 0.59
KCNH2 Q12809 1/20 0.59
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

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
SCHEMBL12666828 0.91 TRPV1 (0.56) TRPV1MAPK3MAOAKCNH2PRKAB2
SCHEMBL1862993 0.90 TRPV1 (0.59) TRPV1MAPK3MAOAKCNH2
SCHEMBL1866400 0.89 TRPV1 (0.77) TRPV1MAPK3MAOAKCNH2PRKAB2
SCHEMBL1861506 0.88 TRPV1 (0.66) TRPV1MAPK3MAOAKCNH2
SCHEMBL1860303 0.87 TRPV1 (0.77) TRPV1MAPK3MAOAKCNH2
SCHEMBL1862997 0.87 TRPV1 (0.64) TRPV1MAPK3MAOAKCNH2
SCHEMBL1866026 0.87 TRPV1 (0.78) TRPV1MAPK3MAOAKCNH2
SCHEMBL1858243 0.85 TRPV1 (0.63) TRPV1MAPK3MAOAKCNH2PRKAB2
SCHEMBL1861727 0.84 TRPV1 (0.65) TRPV1MAPK3MAOAKCNH2
SCHEMBL12666839 0.82 TRPV1 (0.57) TRPV1MAPK3MAOAKCNH2

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 549/4885MAPK3 2884/4885MAOA 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.