SCHEMBL4338513

SCHEMBL4338513

O=C(NC1(CO)CCOCC1)c1nc(-c2ccc(C(F)(F)F)cc2Cl)c2ccccn12

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ RORC P51449 10/20 0.45
▸ DGAT2 Q96PD7 4/20 0.45
▸ PPARG P37231 2/20 0.39
▸ NTRK1 P04629 2/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ CNR1 P21554 1/20 0.35
▸ CNR2 P34972 1/20 0.35
▸ GRM2 Q14416 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
SCHEMBL4318960 0.87 DGAT2 (0.52) RORCDGAT2KDM4EALDH1A1CNR1
SCHEMBL4332898 0.86 HIF1A (0.47) RORCDGAT2PPARGNTRK1CNR1
SCHEMBL4331192 0.86 CNR2 (0.43) RORCDGAT2PPARGCNR1CNR2
SCHEMBL4319062 0.85 RORC (0.42) RORCDGAT2PPARGCNR1CNR2
SCHEMBL4322950 0.84 RORC (0.47) RORCDGAT2PPARG
SCHEMBL4326426 0.82 DGAT2 (0.46) RORCDGAT2PPARGCNR1CNR2
SCHEMBL4339631 0.81 DGAT2 (0.41) RORCDGAT2CNR1CNR2
SCHEMBL4333113 0.81 DGAT2 (0.45) RORCDGAT2CNR2
SCHEMBL4326573 0.81 DGAT2 (0.43) RORCDGAT2CNR2
SCHEMBL4330621 0.80 RORC (0.42) RORCDGAT2PPARGKDM4ECNR1

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 RORC 135/4885DGAT2 2919/4885PPARG 103/4885

“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.

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