SCHEMBL7652883

SCHEMBL7652883

Cn1c(-c2ccccc2)nn(-c2ccccc2Br)c1=O

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.41
MGLL Q99685 1/20 0.41
GSK3A P49840 1/20 0.41
GSK3B P49841 1/20 0.41
ADORA2B P29275 3/20 0.39
ADORA2A P29274 2/20 0.39
HCAR1 Q9BXC0 1/20 0.38
HPGD P15428 1/20 0.36
WNT3A P56704 1/20 0.36
KDM4C Q9H3R0 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
NR1H2 P55055 1/20 0.36
NR1H3 Q13133 1/20 0.36
ALDH1A1 P00352 1/20 0.36
TSHR P16473 1/20 0.36
HTR1A P08908 1/20 0.35

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
SCHEMBL7659194 0.84 ALDH1A1 (0.51) OPRM1MGLLADORA2BADORA2AHPGD
SCHEMBL7652394 0.82 HSD11B1 (0.45) OPRM1MGLLADORA2BADORA2AHPGD
SCHEMBL7660359 0.82 MGLL (0.44) OPRM1MGLLADORA2BADORA2AHCAR1
SCHEMBL7658070 0.82 NPC1 (0.44) MGLLNPC1RAB9AALDH1A1
SCHEMBL10474167 0.80 JAK2 (0.43) OPRM1MGLLGSK3AGSK3BHCAR1
SCHEMBL7656052 0.79 ADORA1 (0.54) MGLLADORA2ANPC1RAB9AALDH1A1
SCHEMBL7652545 0.79 ADORA3 (0.49) ADORA2BADORA2AHPGDNPC1RAB9A
SCHEMBL7653997 0.79 OPRM1 (0.38) OPRM1GSK3AGSK3BADORA2BADORA2A
Dimethylamine SCHEMBL7656223 0.78 MGLL (0.41) OPRM1MGLLADORA2BADORA2AHPGD
SCHEMBL7655309 0.77 CA1 (0.45) OPRM1HCAR1WNT3AALDH1A1TSHR

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 OPRM1 3229/4885MGLL 4482/4885GSK3A 586/4885

“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.