SCHEMBL1865066

SCHEMBL1865066

Cc1cc(Nc2ccc(C(F)(F)F)cc2)c2ccc(-c3nc(C(=O)O)ccc3C(F)(F)F)nc2n1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 12/20 0.49
AKR1C3 P42330 1/20 0.39
AKR1C2 P52895 1/20 0.39
GAK O14976 1/20 0.38
IDO1 P14902 1/20 0.37
TDO2 P48775 1/20 0.37
MAPK3 P27361 1/20 0.37
NPC1 O15118 1/20 0.37
GUSB P08236 1/20 0.37
MAPT P10636 1/20 0.37
ATM Q13315 1/20 0.37
LMNA P02545 1/20 0.36
HTT P42858 1/20 0.36
SORT1 Q99523 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
SCHEMBL12667078 0.88 TRPV1 (0.41) TRPV1AKR1C3AKR1C2GAKIDO1
SCHEMBL1862905 0.86 TRPV1 (0.45) TRPV1AKR1C3AKR1C2GAKSORT1
SCHEMBL1860683 0.85 TRPV1 (0.68) TRPV1MAPK3
SCHEMBL1859532 0.83 TRPV1 (0.51) TRPV1AKR1C3AKR1C2MAPK3NPC1
SCHEMBL1859921 0.83 TRPV1 (0.48) TRPV1GAKNPC1GUSBMAPT
SCHEMBL4355548 0.80 TRPV1 (0.76) TRPV1MAPK3
SCHEMBL1865465 0.77 TRPV1 (0.65) TRPV1MAPK3
SCHEMBL1869242 0.77 TRPV1 (0.53) TRPV1MAPK3NPC1
SCHEMBL1860183 0.77 TRPV1 (0.44) TRPV1MAPK3SORT1
SCHEMBL1862355 0.76 MRGPRX4 (0.40) TRPV1AKR1C3AKR1C2IDO1TDO2

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 549/4885AKR1C3 799/4885AKR1C2 872/4885

“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.