SCHEMBL5799067

SCHEMBL5799067

Cc1ccc2ccc(-c3cc(Nc4ccc(C(F)(F)F)cc4)ncn3)cc2n1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 5/20 0.63
ABL1 P00519 11/20 0.61
BCR P11274 10/20 0.61
MEN1 O00255 1/20 0.45
USP2 O75604 1/20 0.45
ALDH1A1 P00352 1/20 0.45
TP53 P04637 1/20 0.45
CYP1A2 P05177 1/20 0.45
GLA P06280 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
ALOX15 P16050 1/20 0.45
MAPK1 P28482 1/20 0.45
CYP2C19 P33261 1/20 0.45
KMT2A Q03164 1/20 0.45
HSD17B10 Q99714 1/20 0.45
CLK4 Q9HAZ1 1/20 0.45
THRB P10828 1/20 0.44
TNNI3K Q59H18 1/20 0.43

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
SCHEMBL5801011 0.84 TRPV1 (0.61) TRPV1ABL1BCRMEN1USP2
SCHEMBL4832759 0.84 TRPV1 (0.87) TRPV1ABL1BCRTNNI3K
SCHEMBL4832960 0.82 ABL1 (0.72) TRPV1ABL1BCRMEN1USP2
SCHEMBL1014056 0.82 TRPV1 (0.72) TRPV1ABL1BCRMEN1USP2
SCHEMBL1013728 0.82 ABL1 (0.76) TRPV1ABL1BCRMEN1USP2
Hydrochloric Acid SCHEMBL1012455 0.81 TRPV1 (0.71) TRPV1ABL1BCRMEN1USP2
SCHEMBL1013045 0.80 TRPV1 (0.72) TRPV1ABL1BCR
SCHEMBL1012547 0.80 TRPV1 (0.72) TRPV1ABL1BCR
SCHEMBL1012994 0.80 TRPV1 (0.72) TRPV1ABL1BCRTP53
SCHEMBL1014073 0.79 TRPV1 (0.69) TRPV1ABL1BCRMEN1USP2

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 6 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
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 11/4885ABL1 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.