SCHEMBL4099250

SCHEMBL4099250

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

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 1/20 0.40
MAOA P21397 5/20 0.38
MAOB P27338 5/20 0.38
GRM1 Q13255 3/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
NTRK1 P04629 1/20 0.33
CSF1R P07333 1/20 0.33
NTRK2 Q16620 1/20 0.33
CNR1 P21554 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HIF1A Q16665 2/20 0.32
CTSS P25774 1/20 0.32
POLB P06746 1/20 0.31
EIF4EBP1 Q13541 1/20 0.31
GSK3A P49840 1/20 0.31
GSK3B P49841 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
SCHEMBL4098422 0.91 MCHR1 (0.41) MCHR1MAOAMAOBGRM1NTRK1
SCHEMBL4093619 0.86 MCHR1 (0.41) MCHR1MAOAMAOBGRM1NPC1
SCHEMBL5436198 0.83 ALDH1A2 (0.40) MAOAMAOB
SCHEMBL4791971 0.81 TACR2 (0.41) GRM1SMN1; SMN2POLB
SCHEMBL4093553 0.80 MAOA (0.43) MAOAMAOBNPC1CNR1SMN1; SMN2
SCHEMBL4104142 0.79 MAOA (0.42) MAOAMAOBNPC1CNR1SMN1; SMN2
SCHEMBL4107328 0.77 MAOB (0.40) MAOAMAOBCNR1SMN1; SMN2HIF1A
SCHEMBL4097406 0.77 MCHR1 (0.41) MCHR1MAOAMAOBGRM1NPC1
SCHEMBL27670851 0.77 POLB (0.33) MCHR1GRM1CNR1POLB
SCHEMBL5427490 0.75 CNR1 (0.33) MCHR1NPC1RAB9ACNR1SMN1; SMN2

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 473/4885MAOA 3635/4885MAOB 3390/4885

“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.