SCHEMBL23646293

SCHEMBL23646293

CCNc1nc(N)ccc1-c1cccc(Cl)c1Cl

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NUDT1 P36639 8/20 0.41
PTPN1 P18031 1/20 0.40
SCN9A Q15858 2/20 0.39
CYP2D6 P10635 1/20 0.39
MAOA P21397 1/20 0.39
MAPK1 P28482 1/20 0.39
ADRA1A P35348 1/20 0.39
SCN4A P35499 1/20 0.39
BLM P54132 1/20 0.39
PMP22 Q01453 1/20 0.39
PDE3A Q14432 1/20 0.39
SCN5A Q14524 1/20 0.39
SCN2A Q99250 1/20 0.39
SCN3A Q9NY46 1/20 0.39
SCN10A Q9Y5Y9 1/20 0.39
CNR2 P34972 1/20 0.38
PDCD1 Q15116 1/20 0.37
CD274 Q9NZQ7 1/20 0.37
ALOX15 P16050 1/20 0.36
PTPN11 Q06124 3/20 0.36

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
SCHEMBL21223387 0.87 CNR2 (0.51) NUDT1PTPN1CYP2D6CNR2
SCHEMBL21222978 0.84 PTPN1 (0.51) NUDT1PTPN1SCN9ACYP2D6MAOA
SCHEMBL21223043 0.83 CYP1A2 (0.48) NUDT1PTPN1SCN9ACYP2D6MAPK1
SCHEMBL21223605 0.82 CYP1A2 (0.43) CYP2D6MAPK1ALOX15
SCHEMBL21223517 0.80 APP (0.44) NUDT1CYP2D6MAPK1
SCHEMBL21222983 0.80 NUDT1 (0.41) NUDT1PTPN1SCN9ACYP2D6MAOA
SCHEMBL21223512 0.79 NUDT1 (0.44) NUDT1PTPN1SCN9ACYP2D6MAOA
SCHEMBL21222955 0.76 SMN1; SMN2 (0.43) CYP2D6MAPK1BLMCNR2ALOX15
SCHEMBL4504455 0.75 NUDT1 (0.47) NUDT1PTPN1SCN9ACYP2D6MAOA
SCHEMBL7433820 0.75 SCN9A (0.61) NUDT1PTPN1SCN9ACYP2D6MAOA

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-20210221784-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF PAIN UNIVERSITÉ DE STRASBOURG (FR) 2021-07-22 US claimed
CN-111683660-A Compounds and compositions for the treatment of pain 斯特拉斯堡大学 2020-09-18 CN claimed
US-20210221784-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF PAIN UNIVERSITÉ DE STRASBOURG (FR) 2021-07-22 US disclosed
CN-111683660-A Compounds and compositions for the treatment of pain 斯特拉斯堡大学 2020-09-18 CN 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-20210221784-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF PAIN ACHE, TRPV1, OPRL1 NUDT1 972/4885PTPN1 2759/4885SCN9A 1154/4885

“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.