SCHEMBL5016045

SCHEMBL5016045

C[C@H](NC(=O)Nc1cccc2[nH]ncc12)c1ccc(Br)cc1

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 13/20 0.81
CLK4 Q9HAZ1 2/20 0.48
MAPK1 P28482 2/20 0.48
SGK1 O00141 1/20 0.48
ROCK2 O75116 1/20 0.48
ULK1 O75385 1/20 0.48
CDK2 P24941 1/20 0.48
GRK2 P25098 1/20 0.48
MAPK3 P27361 1/20 0.48
GRK3 P35626 1/20 0.48
TGFBR2 P37173 1/20 0.48
CLK2 P49760 1/20 0.48
GSK3A P49840 1/20 0.48
GSK3B P49841 1/20 0.48
CDK7 P50613 1/20 0.48
CDK5 Q00535 1/20 0.48
PRKG2 Q13237 1/20 0.48
ROCK1 Q13464 1/20 0.48
MARK2 Q7KZI7 1/20 0.48
MAPK15 Q8TD08 1/20 0.48

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
SCHEMBL6066321 1.00 TRPV1 (0.81) TRPV1CLK4MAPK1SGK1ROCK2
SCHEMBL6531158 0.78 TRPV1 (0.64) TRPV1CLK4DHPSNPC1LMNA
SCHEMBL4022393 0.77 TRPV1 (1.00) TRPV1CLK4GSK3BCDK7ROCK1
SCHEMBL4019196 0.77 TRPV1 (1.00) TRPV1CLK4GSK3BCDK7ROCK1
SCHEMBL3617002 0.77 TRPV1 (0.63) TRPV1MAPK1
SCHEMBL4022067 0.77 TRPV1 (1.00) TRPV1CLK4GSK3BCDK7ROCK1
SCHEMBL4023593 0.77 CLK4 (0.79) TRPV1CLK4ROCK2PRKG2ROCK1
SCHEMBL11949095 0.76 TRPV1 (0.62) TRPV1CLK4DHPSNPC1LMNA
Hydrochloric Acid SCHEMBL4028497 0.76 CLK4 (0.77) TRPV1CLK4ROCK2PRKG2ROCK1
SCHEMBL4022169 0.76 TRPV1 (0.70) TRPV1CYP3A4

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1660455-B1 FUSED AZABICYCLIC COMPOUNDS THAT INHIBIT VANILLOID RECEPTOR SUBTYPE 1 (VR1) RECEPTOR ABBOTT LAB (US) 2008-10-15 EP claimed
US-6933311-B2 Fused azabicyclic compounds that inhibit vanilloid receptor subtype 1 (VR1) receptor ABBOTT LABORATORIES (US) 2005-08-23 US claimed
US-20050113576-A1 Fused azabicyclic compounds that inhibit vanilloid receptor subtype 1 (VR1) receptor ABBOTT LABORATORIES 2005-05-26 US claimed
US-20040157849-A1 Fused azabicyclic compounds that inhibit vanilloid receptor subtype 1 (VR1) receptor ABBVIE INC. 2004-08-12 US claimed
EP-1660455-B1 FUSED AZABICYCLIC COMPOUNDS THAT INHIBIT VANILLOID RECEPTOR SUBTYPE 1 (VR1) RECEPTOR ABBOTT LAB (US) 2008-10-15 EP disclosed
US-6933311-B2 Fused azabicyclic compounds that inhibit vanilloid receptor subtype 1 (VR1) receptor ABBOTT LABORATORIES (US) 2005-08-23 US disclosed
US-20050113576-A1 Fused azabicyclic compounds that inhibit vanilloid receptor subtype 1 (VR1) receptor ABBOTT LABORATORIES 2005-05-26 US disclosed
US-20040157849-A1 Fused azabicyclic compounds that inhibit vanilloid receptor subtype 1 (VR1) receptor ABBVIE INC. 2004-08-12 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-20040157849-A1 Fused azabicyclic compounds that inhibit vanilloid receptor subtype 1 (VR1) receptor TRPV1, VIPR1, TMEM109 TRPV1 1/4885CLK4 4512/4885MAPK1 314/4885
US-20050113576-A1 Fused azabicyclic compounds that inhibit vanilloid receptor subtype 1 (VR1) receptor TRPV1, TMEM109, VIPR1 TRPV1 1/4885CLK4 4424/4885MAPK1 370/4885

“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.