SCHEMBL5814798

SCHEMBL5814798

FC(F)(F)c1ccc(Nc2cc(-c3ccc4cccnc4c3)nc(OCCN3CCOCC3)n2)cc1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 8/20 0.49
ABL1 P00519 1/20 0.47
BCR P11274 1/20 0.47
HTR2A P28223 2/20 0.42
SLC6A2 P23975 1/20 0.42
OPRK1 P41145 1/20 0.42
HTR2B P41595 1/20 0.42
SLC6A3 Q01959 1/20 0.42
PDE4D Q08499 1/20 0.42
KCNH2 Q12809 1/20 0.42
EPHX2 P34913 4/20 0.41
HTR2C P28335 1/20 0.40
JAK2 O60674 1/20 0.40
JAK3 P52333 1/20 0.40
PTK2 Q05397 1/20 0.40
PIK3CA P42336 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
SCHEMBL6033058 0.88 TRPV1 (0.39) TRPV1ABL1BCRHTR2ASLC6A2
SCHEMBL5801265 0.85 TRPV1 (0.59) TRPV1ABL1BCR
SCHEMBL5802024 0.82 TRPV1 (0.55) TRPV1PIK3CA
SCHEMBL5798069 0.81 TRPV1 (0.55) TRPV1ABL1BCR
SCHEMBL5799324 0.80 TRPV1 (0.60) TRPV1ABL1BCR
SCHEMBL6034040 0.77 TRPV1 (0.53) TRPV1ABL1BCREPHX2
SCHEMBL6032961 0.76 TRPV1 (0.65) TRPV1ABL1BCR
SCHEMBL6033817 0.75 TRPV1 (0.64) TRPV1ABL1BCREPHX2
SCHEMBL5798999 0.75 TRPV1 (0.64) TRPV1ABL1BCR
SCHEMBL5801351 0.75 TRPV1 (0.64) TRPV1ABL1BCR

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
WO-2006038041-A1 BESYLATE SALTS OF SIX-MEMBERED AMINO-HETEROCYCLES AS VANILLOID-1 RECEPTOR ANTAGONISTS FOR TREATING PAIN MERCK SHARP & DOHME LIMITED (GB) 2006-04-13 WO claimed
US-20050197342-A1 Substituted nitrogen-containing six-membered amino-heterocycles as vanilloid-1 receptor antagonists for treating pain HOLLINGWORTH GREGORY J (GB) 2005-09-08 US claimed
WO-2006038041-A1 BESYLATE SALTS OF SIX-MEMBERED AMINO-HETEROCYCLES AS VANILLOID-1 RECEPTOR ANTAGONISTS FOR TREATING PAIN MERCK SHARP & DOHME LIMITED (GB) 2006-04-13 WO disclosed
US-20050197342-A1 Substituted nitrogen-containing six-membered amino-heterocycles as vanilloid-1 receptor antagonists for treating pain HOLLINGWORTH GREGORY J (GB) 2005-09-08 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-20050197342-A1 Substituted nitrogen-containing six-membered amino-heterocycles as vanilloid-1 receptor antagonists for treating pain OPRL1, OPRK1, CNR1 TRPV1 11/4885ABL1 989/4885BCR 1760/4885

“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.