SCHEMBL5036133

SCHEMBL5036133

FC(F)(F)c1ccc(CBr)c(Cl)n1

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.37
NT5E P21589 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
TRPV4 Q9HBA0 1/20 0.31
P2RX7 Q99572 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL27604070 0.85 TRPV1 (0.34) TRPV1NT5EL3MBTL1
SCHEMBL4485875 0.82 KMT2A (0.39) TRPV1NT5EL3MBTL1TRPV4P2RX7
SCHEMBL30910910 0.82 KMT2A (0.39) TRPV1NT5EL3MBTL1TRPV4P2RX7
SCHEMBL1742466 0.81 TRPV1 (0.37) TRPV1NT5EL3MBTL1TRPV4P2RX7
SCHEMBL12266190 0.81 TRPV1 (0.40) TRPV1L3MBTL1P2RX7MEN1KMT2A
SCHEMBL9952737 0.81 LOXL2 (0.38) TRPV1NT5EL3MBTL1TRPV4P2RX7
SCHEMBL29464837 0.81 TRPV1 (0.37) TRPV1NT5EL3MBTL1TRPV4P2RX7
SCHEMBL21503692 0.80 TRPV1 (0.40) TRPV1L3MBTL1MEN1KMT2A
SCHEMBL13697560 0.78 TRPV1 (0.38) TRPV1NT5ETRPV4P2RX7KDM4E
SCHEMBL14920971 0.78 TAAR1 (0.37) TRPV1L3MBTL1P2RX7KDM4EALDH1A1

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
EP-1395564-B1 QUINOLINE DERIVATIVES AS LIGANDS FOR THE NEUROPEPTIDE Y RECEPTOR HOFFMANN LA ROCHE (CH) 2008-02-27 EP disclosed
US-20050049413-A1 Quinoline derivatives MUELLER WERNER (CH) 2005-03-03 US disclosed
US-6818767-B2 NEUROPEPTIDE Y (NPY) ANTAGONISTS FOR THE TREATMENT OR PREVENTION OF ARTHRITIS, CARDIOVASCULAR DISEASES, DIABETES, RENAL FAILURE, EATING DISORDERS, OR OBESITY HOFFMANN-LA ROCHE INC. 2004-11-16 US disclosed
US-20020198194-A1 Quinoline derivatives HOFFMANN-LA ROCHE INC. 2002-12-26 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 (2 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-20020198194-A1 Quinoline derivatives NPY2R, NPY1R, NPY4R TRPV1 769/4885NT5E 895/4885L3MBTL1 3408/4885
US-20050049413-A1 Quinoline derivatives NPY2R, NPY1R, NPY4R TRPV1 769/4885NT5E 895/4885L3MBTL1 3408/4885

“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.