SCHEMBL1594987

SCHEMBL1594987

CC1=C(C=CC(=O)Nc2cccc3cnccc23)C(C)(C)CCC1Oc1cccc(F)c1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 19/20 0.47
CHEK1 O14757 1/20 0.45
PIM1 P11309 1/20 0.45
CDK8 P49336 1/20 0.45
GSK3B P49841 1/20 0.45
CDK7 P50613 1/20 0.45
CDK9 P50750 1/20 0.45
LIMK1 P53667 1/20 0.45
ROCK1 Q13464 1/20 0.45
CLK4 Q9HAZ1 1/20 0.45
CYP3A4 P08684 4/20 0.43
CYP2D6 P10635 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
SCHEMBL1594985 1.00 TRPV1 (0.47) TRPV1CHEK1PIM1CDK8GSK3B
SCHEMBL1595619 0.92 TRPV1 (0.47) TRPV1CHEK1PIM1CDK8GSK3B
SCHEMBL1595623 0.92 TRPV1 (0.47) TRPV1CHEK1PIM1CDK8GSK3B
SCHEMBL1595058 0.92 TRPV1 (0.48) TRPV1CHEK1PIM1CDK8GSK3B
SCHEMBL1595054 0.92 TRPV1 (0.48) TRPV1CHEK1PIM1CDK8GSK3B
SCHEMBL1593920 0.91 TRPV1 (0.56) TRPV1CHEK1PIM1CDK8GSK3B
SCHEMBL1593916 0.91 TRPV1 (0.56) TRPV1CHEK1PIM1CDK8GSK3B
SCHEMBL1594848 0.87 TRPV1 (0.48) TRPV1CHEK1PIM1CDK8GSK3B
SCHEMBL1594852 0.87 TRPV1 (0.48) TRPV1CHEK1PIM1CDK8GSK3B
SCHEMBL1593599 0.87 TRPV1 (0.53) TRPV1CHEK1PIM1CDK8GSK3B

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-7919624-B2 VR1 vanilloid receptor antagonists with a iononic substructure PHARMESTE S.R.L. (IT) 2011-04-05 US disclosed
EP-2046752-B1 VR1 VANILLOID RECEPTOR ANTAGONISTS WITH A IONONIC SUBSTRUCTURE PHARMESTE SRL (IT) 2010-05-19 EP disclosed
US-20100035923-A1 VR1 VANILLOID RECEPTOR ANTAGONISTS WITH A IONONIC SUBSTRUCTURE PHARMESTE S.R.L. (IT) 2010-02-11 US disclosed
EP-2046752-A1 VR1 VANILLOID RECEPTOR ANTAGONISTS WITH A IONONIC SUBSTRUCTURE Pharmeste S.r.l. (IT) 2009-04-15 EP disclosed
WO-2008006481-A1 VR1 VANILLOID RECEPTOR ANTAGONISTS WITH A IONONIC SUBSTRUCTURE PHARMESTE S.R.L. (IT) 2008-01-17 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-20100035923-A1 VR1 VANILLOID RECEPTOR ANTAGONISTS WITH A IONONIC SUBSTRUCTURE TRPV1, TRPV6, TRPV2 TRPV1 1/4885CHEK1 4815/4885PIM1 2230/4885

“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.