SCHEMBL29954073

SCHEMBL29954073

COc1cc(Br)cc(OC)c1C(=O)N[C@@H]1C[C@@H]1F

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
FAAH O00519 2/20 0.42
CNR2 P34972 1/20 0.42
HCRTR1 O43613 11/20 0.39
HCRTR2 O43614 3/20 0.38
TAS1R3 Q7RTX0 1/20 0.36
TAS1R1 Q7RTX1 1/20 0.36
TAS1R2 Q8TE23 1/20 0.36
DRD3 P35462 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
SCHEMBL31313196 0.91 FAAH (0.40) FAAHCNR2HCRTR1
SCHEMBL26906355 0.80 ALDH1A1 (0.50) FAAHCNR2TAS1R3TAS1R1TAS1R2
SCHEMBL29953732 0.77 HCRTR1 (0.35) HCRTR1HCRTR2
SCHEMBL31313163 0.77 SIK1 (0.39) FAAHCNR2HCRTR1
SCHEMBL31313285 0.77 SIK1 (0.39) FAAHCNR2HCRTR1
SCHEMBL22726772 0.76 SIK1 (0.37) HCRTR1HCRTR2
SCHEMBL29954128 0.76 SIK1 (0.37) HCRTR1HCRTR2
SCHEMBL22714935 0.75 HCRTR1 (0.47) HCRTR1HCRTR2
SCHEMBL21591068 0.75 ALDH1A1 (0.46) FAAHTAS1R3TAS1R1TAS1R2DRD3
SCHEMBL21593325 0.74 DRD3 (0.47) TAS1R3TAS1R1TAS1R2DRD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12391679-B2 Benzamide-substituted bicyclic imidazo- and pyrazolo-fused -pyridine, -pyrimide, and -pyridazine compounds for treatment of inflammatory diseases ONCO3R THERAPEUTICS BV (BE) 2025-08-19 US disclosed
EP-3976189-B1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF DISEASES GALAPAGOS NV (BE) 2024-07-03 EP disclosed
US-20220340548-A1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF DISEASES GALAPAGOS NV (BE) 2022-10-27 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 (2 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-20220340548-A1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF DISEASES IL1B, IL1A, IL36G FAAH 2470/4885CNR2 1387/4885HCRTR1 903/4885
US-12391679-B2 Benzamide-substituted bicyclic imidazo- and pyrazolo-fused -pyridine, -pyrimide, and -pyridazine compounds for treatment of inflammatory diseases IL5, IL15, IL1A FAAH 2544/4885CNR2 1128/4885HCRTR1 1679/4885

“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.