SCHEMBL15865348

SCHEMBL15865348

N#Cc1ccc2c(c1)O[C@@H](CO)CO2

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 3/20 0.49
DRD2 P14416 9/20 0.40
DRD3 P35462 9/20 0.40
DRD4 P21917 1/20 0.39
DAO P14920 1/20 0.38
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
HPGD P15428 1/20 0.37
TSHR P16473 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
CA2 P00918 2/20 0.36
PTGS2 P35354 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
SCHEMBL15865467 1.00 FFAR1 (0.49) FFAR1DRD2DRD3DRD4DAO
SCHEMBL6738922 1.00 FFAR1 (0.49) FFAR1DRD2DRD3DRD4DAO
SCHEMBL24328866 0.94 FFAR1 (0.44) FFAR1DRD2DRD3DAOALDH1A1
SCHEMBL26750469 0.85 FFAR1 (0.49) FFAR1DRD2DRD3DAOALDH1A1
SCHEMBL5917859 0.85 FFAR1 (0.49) FFAR1DRD2DRD3DAOALDH1A1
SCHEMBL15864968 0.85 FFAR1 (0.47) FFAR1DRD2DRD3DRD4DAO
SCHEMBL17272684 0.85 FFAR1 (0.47) FFAR1DRD2DRD3DRD4DAO
SCHEMBL15864965 0.85 FFAR1 (0.47) FFAR1DRD2DRD3DRD4DAO
SCHEMBL24328794 0.82 FFAR1 (0.43) FFAR1DRD2DRD3DAOALDH1A1
SCHEMBL24329410 0.81 FFAR1 (0.57) FFAR1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110092774-B Aromatic propionic acid derivative, preparation method and application thereof 中国科学院上海药物研究所 2022-04-08 CN disclosed
EP-2941427-B1 NOVEL BENZODIOXANE-PIPERIDINE DERIVATIVES AND THERAPEUTIC USES THEREOF FOR THE TREATMENT OF NEUROPSYCHIATRIC DISORDERS PF MEDICAMENT (FR) 2016-11-09 EP disclosed
EP-2941427-B1 NOVEL BENZODIOXANE-PIPERIDINE DERIVATIVES AND THERAPEUTIC USES THEREOF FOR THE TREATMENT OF NEUROPSYCHIATRIC DISORDERS PF MEDICAMENT (FR) 2016-11-09 EP disclosed
US-20150336943-A1 NOVEL BENZODIOXANE-PIPERIDINE DERIVATIVES AND THEIR THERAPEUTIC APPLICATIONS FOR TREATING NEUROPSYCHIATRIC DISORDERS PIERRE FABRE MEDICAMENT (FR) 2015-11-26 US disclosed
US-20150336943-A1 NOVEL BENZODIOXANE-PIPERIDINE DERIVATIVES AND THEIR THERAPEUTIC APPLICATIONS FOR TREATING NEUROPSYCHIATRIC DISORDERS PIERRE FABRE MEDICAMENT (FR) 2015-11-26 US disclosed
US-20150336943-A1 NOVEL BENZODIOXANE-PIPERIDINE DERIVATIVES AND THEIR THERAPEUTIC APPLICATIONS FOR TREATING NEUROPSYCHIATRIC DISORDERS PIERRE FABRE MEDICAMENT (FR) 2015-11-26 US disclosed
EP-2941427-A1 NOVEL BENZODIOXANE-PIPERIDINE DERIVATIVES AND THERAPEUTIC USES THEREOF FOR THE TREATMENT OF NEUROPSYCHIATRIC DISORDERS Pierre Fabre Médicament (FR) 2015-11-11 EP disclosed
WO-2014106660-A1 NOVEL BENZODIOXANE-PIPERIDINE DERIVATIVES AND THERAPEUTIC USES THEREOF FOR THE TREATMENT OF NEUROPSYCHIATRIC DISORDERS PIERRE FABRE MEDICAMENT (FR) 2014-07-10 WO disclosed
WO-2014106660-A1 NOVEL BENZODIOXANE-PIPERIDINE DERIVATIVES AND THERAPEUTIC USES THEREOF FOR THE TREATMENT OF NEUROPSYCHIATRIC DISORDERS PIERRE FABRE MEDICAMENT (FR) 2014-07-10 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-20150336943-A1 NOVEL BENZODIOXANE-PIPERIDINE DERIVATIVES AND THEIR THERAPEUTIC APPLICATIONS FOR TREATING NEUROPSYCHIATRIC DISORDERS HCRTR1, HCRTR2, OXSR1 FFAR1 833/4885DRD2 22/4885DRD3 14/4885

“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.