SCHEMBL7095794

SCHEMBL7095794

NC(=O)N1Cc2c[nH]cc2C1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.35
RYR2 Q92736 1/20 0.34
DPP9 Q86TI2 3/20 0.33
DPP7 Q9UHL4 2/20 0.33
DPP8 Q6V1X1 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HTT P42858 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
GABRA1 P14867 1/20 0.31
GABRG2 P18507 1/20 0.31
GABRB3 P28472 1/20 0.31
GABRA3 P34903 1/20 0.31
GABRA2 P47869 1/20 0.31
GABRB2 P47870 1/20 0.31
HTR1A P08908 2/20 0.31
HTR2A P28223 1/20 0.31
HTR7 P34969 1/20 0.31
HTR6 P50406 1/20 0.31
CCNA2 P20248 1/20 0.31
CDK2 P24941 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
SCHEMBL27829328 0.98 NOTUM (0.34) NOTUMRYR2DPP9DPP7DPP8
Hydrochloric Acid SCHEMBL27847913 0.96 NOTUM (0.33) NOTUMRYR2DPP9DPP7DPP8
SCHEMBL3018741 0.78 NOTUM (0.37) NOTUMRYR2DPP9DPP7GABRA1
SCHEMBL29728593 0.76 NOTUM (0.61) NOTUMDPP9DPP7DPP8HTR1A
SCHEMBL3704956 0.76 NOTUM (0.61) NOTUMDPP9DPP7DPP8HTR1A
SCHEMBL30595328 0.73 DPP9 (0.41) NOTUMRYR2DPP9DPP7DPP8
SCHEMBL9705347 0.71 NOTUM (0.50) NOTUMDPP9DPP7DPP8ALDH1A1
Trifluoroacetic Acid SCHEMBL27900676 0.70 DPP8 (0.36) DPP9DPP7DPP8HTR1ATMPRSS2
SCHEMBL29573372 0.70 NAMPT (0.40) DPP7CCNA2CDK2CCNA1
SCHEMBL3643075 0.70 NOTUM (0.42) NOTUMALDH1A1HTTGABRA1GABRG2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3802541-A1 HEXAHYDROPYRROLO[3,4-C]PYRROLE DERIVATIVES USEFUL AS LOX INHIBITORS The Institute of Cancer Research: Royal Cancer Hospital (GB) 2021-04-14 EP disclosed
US-20200339570-A1 BICYCLIC DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2020-10-29 US disclosed
CN-101909628-B As leukotriene A4Aryl substituted bridged or fused diamines as hydrolase modulators JANSSEN PHARMACEUTICA NV 2013-05-29 CN disclosed
CN-101909628-A As leukotriene A4Aryl substituted bridged or fused diamines as hydrolase modulators JANSSEN PHARMACEUTICA NV 2010-12-08 CN disclosed
EP-1360187-A1 3,7-DIAZABICYCLO(3.3.0)OCTANES AND THEIR USE IN THE TREATMENT OF CARDIAC ARRHYTHMIAS AstraZeneca AB (SE) 2003-11-12 EP disclosed
WO-2002060902-A1 3,7-DIAZABICYCLO[3.3.0]OCTANES AND THEIR USE IN THE TREATMENT OF CARDIAC ARRHYTHMIAS ASTRAZENECA AB (SE) 2002-08-08 WO 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-20200339570-A1 BICYCLIC DERIVATIVES CCNY, BICRA, UQCRB NOTUM 4205/4885RYR2 3569/4885DPP9 4587/4885

“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.