SCHEMBL6033723

SCHEMBL6033723

FC(F)(F)c1ccc(Nc2cc(Cl)nc(CN3CCOCC3)n2)cc1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 2/20 0.53
BCR P11274 2/20 0.53
TRPV1 Q8NER1 3/20 0.49
HIF1A Q16665 6/20 0.48
EPAS1 Q99814 6/20 0.48
MAPT P10636 1/20 0.43
TSHR P16473 1/20 0.43
NR4A1 P22736 1/20 0.43
THRB P10828 1/20 0.42
SLC2A1 P11166 1/20 0.41
POLB P06746 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
EPHX2 P34913 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
SCHEMBL6033501 0.77 AGPAT2 (0.44) ABL1BCRTRPV1MAPTPOLB
SCHEMBL5801265 0.76 TRPV1 (0.59) ABL1BCRTRPV1HIF1AEPAS1
SCHEMBL6033570 0.75 CXCR4 (0.49) MAPT
SCHEMBL6478554 0.71 AGPAT2 (0.48) ABL1BCRMAPTPOLBEPHX2
SCHEMBL16704827 0.70 HIF1A (0.82) HIF1AEPAS1MAPTL3MBTL1
SCHEMBL3608208 0.70 SLC2A1 (0.47) TRPV1HIF1AEPAS1MAPTTSHR
SCHEMBL4242830 0.69 CYP2A13 (0.56) HIF1AEPAS1MAPTSLC2A1POLB
SCHEMBL13771177 0.69 ABL1 (1.00) ABL1BCRTRPV1HIF1ATSHR
SCHEMBL11001901 0.68 DHODH (0.50) ABL1BCRTRPV1MAPTPOLB
SCHEMBL1844423 0.68 AGPAT2 (0.53) ABL1BCRMAPTPOLB

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
EP-1685124-A1 SUBSTITUTED NITROGEN-CONTAINING SIX-MEMBERED AMINO-HETEROCYCLES AS VANILLOID-1 RECEPTOR ANTAGONISTS FOR TREATING PAIN MERCK SHARP & DOHME LTD. (GB) 2006-08-02 EP 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
WO-2005047279-A1 SUBSTITUTED NITROGEN-CONTAINING SIX-MEMBERED AMINO-HETEROCYCLES AS VANILLOID-1 RECEPTOR ANTAGONISTS FOR TREATING PAIN MERCK SHARP & DOHME LIMITED (GB) 2005-05-26 WO 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 ABL1 989/4885BCR 1760/4885TRPV1 11/4885

“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.