SCHEMBL4098422

SCHEMBL4098422

Cn1cnc2c(=O)n(-c3ccc(F)cc3)c(OCc3csc(C(F)(F)F)n3)nc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 1/20 0.41
ALDH1A2 O94788 1/20 0.35
ALDH1A1 P00352 1/20 0.35
ALDH1A3 P47895 1/20 0.35
NTRK1 P04629 1/20 0.34
CSF1R P07333 1/20 0.34
NTRK2 Q16620 1/20 0.34
CTSS P25774 1/20 0.33
MAOA P21397 3/20 0.32
MAOB P27338 3/20 0.32
GSK3A P49840 1/20 0.32
GSK3B P49841 1/20 0.32
GRM1 Q13255 1/20 0.31
PDE4A P27815 1/20 0.31
PDE4B Q07343 1/20 0.31
PDE4C Q08493 1/20 0.31
PDE4D Q08499 1/20 0.31
HTT P42858 1/20 0.31
NCOA3 Q9Y6Q9 1/20 0.31
PKM P14618 1/20 0.31

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
SCHEMBL4099250 0.91 MCHR1 (0.40) MCHR1NTRK1CSF1RNTRK2CTSS
SCHEMBL4097406 0.86 MCHR1 (0.41) MCHR1ALDH1A2ALDH1A1ALDH1A3CTSS
SCHEMBL4109181 0.80 ALDH1A1 (0.36) ALDH1A2ALDH1A1ALDH1A3CTSSMAOA
SCHEMBL4104374 0.79 ALDH1A1 (0.35) ALDH1A2ALDH1A1ALDH1A3CTSSMAOA
SCHEMBL4093619 0.77 MCHR1 (0.41) MCHR1CTSSMAOAMAOBGRM1
SCHEMBL5436198 0.75 ALDH1A2 (0.40) ALDH1A2ALDH1A1ALDH1A3MAOAMAOB
SCHEMBL2234595 0.74 HTT (0.36) ALDH1A2ALDH1A1ALDH1A3CTSSMAOA
SCHEMBL5428540 0.74 MEN1 (0.38) ALDH1A2ALDH1A1ALDH1A3MAOAMAOB
SCHEMBL2232219 0.74 KCNH2 (0.37) ALDH1A2ALDH1A1ALDH1A3CTSSHTT
SCHEMBL2233610 0.74 MAOA (0.43) MAOAMAOB

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 2 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
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

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 MCHR1 473/4885ALDH1A2 1639/4885ALDH1A1 832/4885

“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.