SCHEMBL4331773

SCHEMBL4331773

O=C(c1ccc2ccccc2c1)c1nc(CN2CCOCC2)c2ccccn12

nearest known ligand 0.63

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 7/20 0.63
CNR2 P34972 7/20 0.63
KMT2A Q03164 2/20 0.49
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
CYP1A2 P05177 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C19 P33261 1/20 0.47
MEN1 O00255 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
RORC P51449 1/20 0.41

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
SCHEMBL4461480 0.88 CNR1 (0.69) CNR1CNR2KMT2ARAB9ARORC
SCHEMBL3058529 0.86 CNR1 (0.66) CNR1CNR2KMT2ANPC1RAB9A
SCHEMBL4326889 0.86 CNR1 (0.70) CNR1CNR2KMT2ANPC1RAB9A
SCHEMBL13578113 0.86 CNR2 (0.65) CNR1CNR2NPC1RAB9ARORC
SCHEMBL4333108 0.85 CNR1 (0.66) CNR1CNR2KMT2ANPC1RAB9A
SCHEMBL4341215 0.84 CNR1 (0.62) CNR1CNR2RAB9ARORC
SCHEMBL4326567 0.84 CNR2 (0.68) CNR1CNR2RAB9A
SCHEMBL4326760 0.83 CNR2 (0.67) CNR1CNR2RAB9A
SCHEMBL2743123 0.83 CNR1 (0.68) CNR1CNR2KMT2ANPC1RORC
SCHEMBL4455261 0.82 CNR1 (0.62) CNR1CNR2KMT2AMEN1

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-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
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
WO-2008085302-A1 IMIDAZOPYRIDINE ANALOGS AS CB2 RECEPTOR MODULATORS, USEFUL IN THE TREATMENT OF PAIN, RESPIRATORY AND NON-RESPIRATORY DISEASES MERCK & CO., INC. (US) 2008-07-17 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-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 1/4885KMT2A 1982/4885

“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.