SCHEMBL15870243

SCHEMBL15870243

Cc1ccc2c(c1)O[C@@H](CBr)CO2

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.58
FFAR1 O14842 1/20 0.42
RAB9A P51151 1/20 0.41
LMNA P02545 1/20 0.41
TSHR P16473 2/20 0.41
GAA P10253 2/20 0.40
HTR6 P50406 1/20 0.39
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
USP2 O75604 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
CASP1 P29466 1/20 0.39
HBB P68871 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL17272701 1.00 CA2 (0.58) CA2FFAR1RAB9ALMNATSHR
SCHEMBL11235851 0.87 CA2 (0.56) CA2FFAR1RAB9ALMNATSHR
SCHEMBL8282396 0.85 CA2 (0.59) CA2FFAR1RAB9ALMNAGAA
SCHEMBL29481813 0.83 CA2 (0.58) CA2FFAR1RAB9ALMNATSHR
SCHEMBL6984007 0.83 CA2 (0.58) CA2FFAR1RAB9ALMNATSHR
SCHEMBL29444746 0.83 CA2 (0.58) CA2FFAR1RAB9ALMNATSHR
SCHEMBL6984001 0.83 CA2 (0.58) CA2FFAR1RAB9ALMNATSHR
SCHEMBL11027482 0.83 CA2 (0.58) CA2FFAR1RAB9ALMNAGAA
SCHEMBL15864958 0.83 CA2 (0.54) CA2FFAR1LMNAGAAHTR6
SCHEMBL15864961 0.83 CA2 (0.54) CA2FFAR1LMNAGAAHTR6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 CA2 4017/4885FFAR1 833/4885RAB9A 3169/4885

“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.