SCHEMBL4334827

SCHEMBL4334827

CC(NC(=O)c1nc(C(F)(F)F)c2ccccn12)C(C)(C)C

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 7/20 0.53
SSTR4 P31391 2/20 0.44
FPR1 P21462 1/20 0.41
CNR1 P21554 2/20 0.39
HTR4 Q13639 6/20 0.38
ALDH1A1 P00352 1/20 0.37
CYP3A4 P08684 1/20 0.37
RORC P51449 1/20 0.35
HPGD P15428 1/20 0.35
MAPK14 Q16539 1/20 0.35

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
SCHEMBL13578225 0.83 CNR2 (0.52) CNR2HTR4ALDH1A1HPGD
SCHEMBL13578226 0.83 CNR2 (0.52) CNR2HTR4ALDH1A1HPGD
Trifluoroacetic Acid SCHEMBL4329955 0.82 CNR2 (0.49) CNR2FPR1CNR1HTR4ALDH1A1
Trifluoroacetic Acid SCHEMBL4333546 0.82 CNR2 (0.49) CNR2FPR1CNR1HTR4ALDH1A1
SCHEMBL4332528 0.80 CNR2 (0.56) CNR2SSTR4CNR1HTR4RORC
SCHEMBL4338386 0.80 CNR2 (0.47) CNR2HTR4ALDH1A1RORCHPGD
SCHEMBL13578214 0.80 CNR2 (0.47) CNR2HTR4ALDH1A1RORCHPGD
SCHEMBL13578218 0.80 CNR2 (0.47) CNR2HTR4ALDH1A1RORCHPGD
SCHEMBL13578112 0.79 CNR2 (0.48) CNR2HTR4ALDH1A1RORCMAPK14
SCHEMBL4319097 0.79 CNR2 (0.61) CNR2SSTR4CNR1HTR4CYP3A4

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 1/4885SSTR4 961/4885FPR1 219/4885

“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.