SCHEMBL7652938

SCHEMBL7652938

Cc1ccccc1-n1nc(-c2ccccc2)n(CCN(C)C)c1=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.43
TSHR P16473 4/20 0.43
HTR6 P50406 3/20 0.39
DRD2 P14416 2/20 0.39
LMNA P02545 2/20 0.39
MAPT P10636 2/20 0.39
CHRM2 P08172 1/20 0.39
HTR1A P08908 1/20 0.39
ADRA2A P08913 1/20 0.39
DRD1 P21728 1/20 0.39
SLC6A2 P23975 1/20 0.39
HTR2A P28223 1/20 0.39
SLC6A4 P31645 1/20 0.39
HTR7 P34969 1/20 0.39
ADRA1A P35348 1/20 0.39
HRH1 P35367 1/20 0.39
OPRM1 P35372 1/20 0.39
DRD3 P35462 1/20 0.39
KDM4E B2RXH2 8/20 0.38
HSD17B10 Q99714 7/20 0.38

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
SCHEMBL7656105 0.89 DRD2 (0.39) ALDH1A1TSHRHTR6DRD2LMNA
SCHEMBL7651062 0.88 CA1 (0.37) ALDH1A1TSHRLMNAMAPTOPRM1
SCHEMBL7652262 0.88 NOX4 (0.45) ALDH1A1TSHRHTR6DRD2LMNA
SCHEMBL7653997 0.88 OPRM1 (0.38) ALDH1A1TSHRHTR6DRD2LMNA
SCHEMBL7653733 0.88 NPC1 (0.40) ALDH1A1TSHRHTR6DRD2LMNA
SCHEMBL7656700 0.85 ADORA3 (0.47) ALDH1A1TSHRADRA1AKDM4EHSD17B10
SCHEMBL7656086 0.85 CTSK (0.45) ALDH1A1TSHRKDM4EHSD17B10HPGD
SCHEMBL7655384 0.82 HPGD (0.43) ALDH1A1TSHRHTR6HTR1AHTR7
SCHEMBL7652925 0.81 KDM4E (0.41) TSHRHTR6DRD2LMNAMAPT
SCHEMBL7652922 0.79 CTSK (0.50) ALDH1A1MEN1KMT2AADORA3ADORA2A

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 ALDH1A1 1654/4885TSHR 206/4885HTR6 197/4885

“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.