SCHEMBL5799324

SCHEMBL5799324

COc1nc(Nc2ccc(C(F)(F)F)cc2)cc(-c2ccc3cccnc3c2)n1

nearest known ligand 0.60

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 13/20 0.60
ACP1 P24666 1/20 0.45
ABL1 P00519 1/20 0.42
BCR P11274 1/20 0.42
ABCG2 Q9UNQ0 1/20 0.41
TOP1 P11387 2/20 0.41
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
MAPK1 P28482 1/20 0.38

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
SCHEMBL6252450 0.90 TRPV1 (0.54) TRPV1ABL1BCRABCG2
SCHEMBL6033817 0.86 TRPV1 (0.64) TRPV1ACP1ABL1BCRTOP1
SCHEMBL6032961 0.85 TRPV1 (0.65) TRPV1ACP1ABL1BCRTOP1
SCHEMBL5798069 0.85 TRPV1 (0.55) TRPV1ABL1BCRTOP1
SCHEMBL5798999 0.84 TRPV1 (0.64) TRPV1ACP1ABL1BCRTOP1
SCHEMBL5801351 0.84 TRPV1 (0.64) TRPV1ABL1BCRTOP1
SCHEMBL5801211 0.84 TRPV1 (0.60) TRPV1ACP1ABL1BCRTOP1
SCHEMBL6034040 0.83 TRPV1 (0.53) TRPV1ABL1BCR
SCHEMBL6033062 0.82 TRPV1 (0.58) TRPV1ABL1BCRTOP1LMNA
SCHEMBL4832759 0.82 TRPV1 (0.87) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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
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
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 TRPV1 11/4885ACP1 3987/4885ABL1 989/4885

“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.