SCHEMBL7652394

SCHEMBL7652394

Cn1c(-c2ccccc2)nn(-c2ccccc2Cl)c1=O

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.45
POLB P06746 1/20 0.43
MAPK14 Q16539 4/20 0.42
MAPK11 Q15759 2/20 0.42
OPRM1 P35372 1/20 0.41
MGLL Q99685 1/20 0.41
HPGD P15428 1/20 0.39
PDE4B Q07343 1/20 0.39
ADORA2A P29274 1/20 0.39
ADORA2B P29275 1/20 0.39
CDK4 P11802 1/20 0.39
CCND1 P24385 1/20 0.39
CNR1 P21554 1/20 0.39
RIPK1 Q13546 1/20 0.39

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
SCHEMBL7649148 0.86 HTT (0.47) HSD11B1OPRM1CDK4CCND1
SCHEMBL7659194 0.84 ALDH1A1 (0.51) POLBOPRM1MGLLHPGDADORA2A
SCHEMBL7660359 0.82 MGLL (0.44) HSD11B1OPRM1MGLLHPGDADORA2A
SCHEMBL7652883 0.82 OPRM1 (0.41) OPRM1MGLLHPGDADORA2AADORA2B
SCHEMBL7658070 0.82 NPC1 (0.44) MGLL
SCHEMBL7656052 0.79 ADORA1 (0.54) MGLLADORA2A
SCHEMBL7652545 0.79 ADORA3 (0.49) HPGDADORA2AADORA2B
SCHEMBL7652262 0.79 NOX4 (0.45) POLBMAPK14MAPK11OPRM1HPGD
Dimethylamine SCHEMBL7656223 0.78 MGLL (0.41) HSD11B1MAPK14OPRM1MGLLHPGD
Dimethylamine SCHEMBL7652266 0.78 MAPK14 (0.42) POLBMAPK14MAPK11PDE4BCNR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6492407-B2 NEUROPROTECTIVE ACTIVITY BOEHRINGER IMGELHEIM PHARMA KG (DE) 2002-12-10 US claimed
US-20020045651-A1 Pharmaceutical compositions containing triazolones and methods of treating neurodegenerative disease using triazolones BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2002-04-18 US claimed
US-6492407-B2 NEUROPROTECTIVE ACTIVITY BOEHRINGER IMGELHEIM PHARMA KG (DE) 2002-12-10 US disclosed
US-20020045651-A1 Pharmaceutical compositions containing triazolones and methods of treating neurodegenerative disease using triazolones BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2002-04-18 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-20020045651-A1 Pharmaceutical compositions containing triazolones and methods of treating neurodegenerative disease using triazolones PARK7, IAPP, HIF1AN HSD11B1 1050/4885POLB 1214/4885MAPK14 1293/4885

“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.