SCHEMBL1865521

SCHEMBL1865521

Cc1cc(Nc2ccc(C(F)(F)F)cc2)c2ncc(-c3ncc(C(=O)O)cc3C(F)(F)F)nc2n1

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 12/20 0.62
MAOA P21397 1/20 0.52
KCNH2 Q12809 1/20 0.52
AKR1C3 P42330 1/20 0.39
AKR1C2 P52895 1/20 0.39
ATM Q13315 1/20 0.37
GSK3A P49840 1/20 0.36
GSK3B P49841 1/20 0.36
NPC1 O15118 2/20 0.35
GUSB P08236 1/20 0.35
MAPT P10636 1/20 0.35
DHODH Q02127 2/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
LMNA P02545 1/20 0.35
HTT P42858 1/20 0.35

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
SCHEMBL1859532 0.88 TRPV1 (0.51) TRPV1MAOAKCNH2AKR1C3AKR1C2
SCHEMBL12629653 0.87 TRPV1 (0.80) TRPV1MAOAKCNH2AKR1C3AKR1C2
SCHEMBL1862905 0.85 TRPV1 (0.45) TRPV1MAOAKCNH2AKR1C3AKR1C2
SCHEMBL1866711 0.83 TRPV1 (0.59) TRPV1MAOAKCNH2AKR1C3
SCHEMBL12666713 0.80 TRPV1 (0.40) TRPV1MAOAKCNH2AKR1C3AKR1C2
SCHEMBL3956119 0.80 TRPV1 (0.64) TRPV1MAOAKCNH2NPC1RAB9A
SCHEMBL1856640 0.79 TRPV1 (0.66) TRPV1MAOAKCNH2
SCHEMBL12629654 0.79 TRPV1 (0.49) TRPV1ATMNPC1GUSBMAPT
SCHEMBL1863039 0.78 TRPV1 (0.49) TRPV1MAOAKCNH2LMNA
SCHEMBL1863203 0.78 TRPV1 (0.66) TRPV1MAOAKCNH2

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 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.