SCHEMBL4093348

SCHEMBL4093348

Cn1cnc2c(=O)n(-c3ccc(C#N)cc3)c(OCCC(F)(F)F)nc21

nearest known ligand 0.39

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CTSS P25774 19/20 0.39
CTSK P43235 7/20 0.35
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33

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
SCHEMBL4109181 0.88 ALDH1A1 (0.36) CTSSMAOAMAOB
SCHEMBL4093553 0.87 MAOA (0.43) CTSSMAOAMAOB
SCHEMBL4104374 0.82 ALDH1A1 (0.35) CTSSMAOAMAOB
SCHEMBL4104142 0.82 MAOA (0.42) MAOAMAOB
SCHEMBL5438324 0.81 ALDH1A2 (0.38) CTSSCTSKMAOB
SCHEMBL5428589 0.80 ALDH1A2 (0.37) CTSSMAOAMAOB
SCHEMBL4099332 0.78 CNR1 (0.41) CTSSCTSKMAOAMAOB
SCHEMBL2235680 0.77 CTSS (0.36) CTSSCTSK
SCHEMBL4426575 0.77 CTSS (0.36) CTSSCTSK
SCHEMBL1997999 0.76 TRPV1 (0.37) CTSS

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
US-20090233947-A1 2,3-Substituted fused bicyclic pyrimidin-4(3H)-ones which modulating the function of the vanilloid -1 receptor (VR1) MERCK SHARP & DOHME LTD. (GB) 2009-09-17 US claimed
EP-1888586-A2 2,3-SUBSTITUTED FUSED BICYCLIC PYRIMIDIN-4(3H)-ONES WHICH MODULATE THE FUNCTION OF THE VANILLOID-1 RECEPTOR (VR1) MERCK SHARP & DOHME LTD. (GB) 2008-02-20 EP claimed
WO-2006120481-A2 2,3-SUBSTITUTED FUSED BICYCLIC PYRIMIDIN-4(3H)-ONES WHICH MODULATE THE FUNCTION OF THE VANILLOID-1 RECEPTOR (VR1) MERCK SHARP & DOHME LIMITED (GB) 2006-11-16 WO claimed
US-20090233947-A1 2,3-Substituted fused bicyclic pyrimidin-4(3H)-ones which modulating the function of the vanilloid -1 receptor (VR1) MERCK SHARP & DOHME LTD. (GB) 2009-09-17 US disclosed
EP-1888586-A2 2,3-SUBSTITUTED FUSED BICYCLIC PYRIMIDIN-4(3H)-ONES WHICH MODULATE THE FUNCTION OF THE VANILLOID-1 RECEPTOR (VR1) MERCK SHARP & DOHME LTD. (GB) 2008-02-20 EP disclosed
WO-2006120481-A2 2,3-SUBSTITUTED FUSED BICYCLIC PYRIMIDIN-4(3H)-ONES WHICH MODULATE THE FUNCTION OF THE VANILLOID-1 RECEPTOR (VR1) MERCK SHARP & DOHME LIMITED (GB) 2006-11-16 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-20090233947-A1 2,3-Substituted fused bicyclic pyrimidin-4(3H)-ones which modulating the function of the vanilloid -1 receptor (VR1) TRPV1, TRPV2, TRPV3 CTSS 4006/4885CTSK 3649/4885MAOA 3635/4885

“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.