SCHEMBL4323218

SCHEMBL4323218

O=C(NCC(F)(F)F)c1nc(CN2CCS(=O)(=O)CC2)c2ccccn12

nearest known ligand 0.68

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 8/20 0.68
CNR1 P21554 6/20 0.68
KMT2A Q03164 1/20 0.39
ACVR1 Q04771 1/20 0.39
HTR4 Q13639 4/20 0.38
HTR1A P08908 2/20 0.36
HTR2C P28335 2/20 0.36
HTR3E A5X5Y0 1/20 0.36
HTR3B O95264 1/20 0.36
HTR3A P46098 1/20 0.36
HTR3D Q70Z44 1/20 0.36
HTR3C Q8WXA8 1/20 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
SCHEMBL4323216 0.92 CNR2 (0.58) CNR2CNR1HTR4HTR1AHTR2C
SCHEMBL4326167 0.87 CNR2 (0.68) CNR2CNR1HTR4HTR1AHTR2C
SCHEMBL4339536 0.81 CNR2 (1.00) CNR2CNR1KMT2A
SCHEMBL4334587 0.81 CNR2 (0.67) CNR2CNR1KMT2AHTR4HTR1A
SCHEMBL4331769 0.80 CNR2 (0.75) CNR2CNR1KMT2A
SCHEMBL4324652 0.80 CNR2 (0.73) CNR2CNR1
SCHEMBL4323490 0.80 CNR2 (0.58) CNR2CNR1
SCHEMBL4323498 0.79 CNR2 (0.60) CNR2CNR1HTR4
SCHEMBL4327707 0.79 CNR1 (0.73) CNR2CNR1KMT2A
SCHEMBL4321808 0.79 CNR1 (0.65) CNR2CNR1

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 CNR2 1/4885CNR1 2/4885KMT2A 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.