SCHEMBL4333575

SCHEMBL4333575

COc1ncccc1NC(=O)c1nc(CN2CCS(=O)(=O)CC2)c2ccccn12

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 5/20 0.61
CNR2 P34972 5/20 0.61
CYP1A2 P05177 1/20 0.38
CYP2C19 P33261 1/20 0.38
KMT2A Q03164 1/20 0.38
CSF1R P07333 2/20 0.37
PKM P14618 1/20 0.36
GPR6 P46095 7/20 0.36
HTR4 Q13639 1/20 0.35
ATR Q13535 1/20 0.35
TMEM97 Q5BJF2 1/20 0.34
SIGMAR1 Q99720 1/20 0.34

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
SCHEMBL4333588 0.93 CNR1 (0.52) CNR1CNR2CSF1RGPR6HTR4
SCHEMBL4330524 0.84 CNR1 (0.61) CNR1CNR2CYP1A2KMT2A
SCHEMBL4334587 0.84 CNR2 (0.67) CNR1CNR2CYP1A2CYP2C19KMT2A
SCHEMBL4331291 0.83 CNR1 (0.61) CNR1CNR2CYP1A2CYP2C19KMT2A
SCHEMBL4327707 0.83 CNR1 (0.73) CNR1CNR2CYP1A2CYP2C19KMT2A
SCHEMBL4321808 0.83 CNR1 (0.65) CNR1CNR2
SCHEMBL13578118 0.82 CNR1 (0.62) CNR1CNR2CYP1A2KMT2APKM
SCHEMBL4331219 0.81 CNR1 (0.58) CNR1CNR2KMT2APKM
SCHEMBL13578117 0.80 CNR1 (0.61) CNR1CNR2CYP1A2CYP2C19KMT2A
SCHEMBL4341825 0.79 CNR1 (0.63) CNR1CNR2PKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090325936-A1 IMIDAZOPYRIDINE ANALOGS AS CB2 RECEPTOR MODULATORS, USEFUL IN THE TREATMENT OF PAIN, RESPIRATORY AND NON-RESPIRATORY DISEASES MERCK & CO., INC. 2009-12-31 US disclosed
US-20090325936-A1 IMIDAZOPYRIDINE ANALOGS AS CB2 RECEPTOR MODULATORS, USEFUL IN THE TREATMENT OF PAIN, RESPIRATORY AND NON-RESPIRATORY DISEASES MERCK & CO., INC. 2009-12-31 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-20090325936-A1 IMIDAZOPYRIDINE ANALOGS AS CB2 RECEPTOR MODULATORS, USEFUL IN THE TREATMENT OF PAIN, RESPIRATORY AND NON-RESPIRATORY DISEASES CNR2, CNR1, TRPV1 CNR1 2/4885CNR2 1/4885CYP1A2 578/4885

“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.