SCHEMBL4097406

SCHEMBL4097406

Cn1cnc2c(=O)n(-c3ccc(F)cc3)c(OCc3nc(C(F)(F)F)cs3)nc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 1/20 0.41
ALDH1A2 O94788 1/20 0.34
ALDH1A1 P00352 1/20 0.34
ALDH1A3 P47895 1/20 0.34
CTSS P25774 1/20 0.32
MAOA P21397 3/20 0.31
MAOB P27338 3/20 0.31
L3MBTL1 Q9Y468 2/20 0.31
NPC1 O15118 1/20 0.31
CASP3 P42574 1/20 0.31
RAB9A P51151 1/20 0.31
SENP8 Q96LD8 1/20 0.31
SENP7 Q9BQF6 1/20 0.31
SENP6 Q9GZR1 1/20 0.31
MAT2A P31153 1/20 0.31
GRM1 Q13255 1/20 0.31
KDM4E B2RXH2 1/20 0.31
MAPT P10636 1/20 0.31
HKDC1 Q2TB90 1/20 0.31
PDE4A P27815 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
SCHEMBL4093619 0.92 MCHR1 (0.41) MCHR1CTSSMAOAMAOBL3MBTL1
SCHEMBL4098422 0.86 MCHR1 (0.41) MCHR1ALDH1A2ALDH1A1ALDH1A3CTSS
SCHEMBL4109181 0.79 ALDH1A1 (0.36) ALDH1A2ALDH1A1ALDH1A3CTSSMAOA
SCHEMBL4104374 0.78 ALDH1A1 (0.35) ALDH1A2ALDH1A1ALDH1A3CTSSMAOA
SCHEMBL4099250 0.77 MCHR1 (0.40) MCHR1CTSSMAOAMAOBNPC1
SCHEMBL5435498 0.75 ALDH1A2 (0.40) MCHR1ALDH1A2ALDH1A1ALDH1A3MAOA
SCHEMBL2234595 0.74 HTT (0.36) ALDH1A2ALDH1A1ALDH1A3CTSSMAOA
SCHEMBL5431647 0.73 NPSR1 (0.38) ALDH1A2ALDH1A1ALDH1A3MAOAMAOB
SCHEMBL2233610 0.73 MAOA (0.43) MAOAMAOBMAPT
SCHEMBL2232219 0.73 KCNH2 (0.37) ALDH1A2ALDH1A1ALDH1A3CTSSHTT

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.