SCHEMBL16078136

SCHEMBL16078136

COc1c(F)cccc1C(=O)N1CCC[C@@H](Nc2ccc(Br)cn2)[C@@H]1C

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HCRTR2 O43614 13/20 1.00
HCRTR1 O43613 7/20 0.67
OPRK1 P41145 1/20 0.64

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
SCHEMBL16033360 1.00 HCRTR2 (1.00) HCRTR2HCRTR1OPRK1
SCHEMBL16031266 1.00 HCRTR2 (1.00) HCRTR2HCRTR1OPRK1
SCHEMBL16031268 1.00 HCRTR2 (1.00) HCRTR2HCRTR1OPRK1
SCHEMBL16078124 0.88 HCRTR2 (1.00) HCRTR2HCRTR1
SCHEMBL16030664 0.88 HCRTR2 (1.00) HCRTR2HCRTR1
SCHEMBL16031575 0.88 HCRTR2 (1.00) HCRTR2HCRTR1
SCHEMBL16030662 0.88 HCRTR2 (1.00) HCRTR2HCRTR1
SCHEMBL16149261 0.88 HCRTR2 (1.00) HCRTR2HCRTR1
SCHEMBL20145060 0.85 HCRTR2 (0.83) HCRTR2HCRTR1
SCHEMBL16030109 0.84 HCRTR2 (1.00) HCRTR2HCRTR1

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
EP-2970207-B1 SUBSTITUTED PIPERIDINE COMPOUNDS AND THEIR USE AS OREXIN RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2018-05-16 EP disclosed
US-9611251-B2 Substituted piperidine compounds and their use as orexin receptor modulators JANSSEN PHARMACEUTICA NV (BE) 2017-04-04 US disclosed
US-9611251-B2 Substituted piperidine compounds and their use as orexin receptor modulators JANSSEN PHARMACEUTICA NV (BE) 2017-04-04 US disclosed
US-20160046599-A1 SUBSTITUTED PIPERIDINE COMPOUNDS AND THEIR USE AS OREXIN RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2016-02-18 US disclosed
US-20160046599-A1 SUBSTITUTED PIPERIDINE COMPOUNDS AND THEIR USE AS OREXIN RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2016-02-18 US disclosed
US-9115117-B2 Substituted piperidine compounds and their use as orexin receptor modulators JANSSEN PHARMACEUTICA NV (BE) 2015-08-25 US disclosed
US-9115117-B2 Substituted piperidine compounds and their use as orexin receptor modulators JANSSEN PHARMACEUTICA NV (BE) 2015-08-25 US disclosed
WO-2014165065-A1 SUBSTITUTED PIPERIDINE COMPOUNDS AND THEIR USE AS OREXIN RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2014-10-09 WO disclosed
US-20140275095-A1 SUBSTITUTED PIPERIDINE COMPOUNDS AND THEIR USE AS OREXIN RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (US) 2014-09-18 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-20140275095-A1 SUBSTITUTED PIPERIDINE COMPOUNDS AND THEIR USE AS OREXIN RECEPTOR MODULATORS HCRTR2, HCRTR1, NPY1R HCRTR2 1/4885HCRTR1 2/4885OPRK1 26/4885
US-20160046599-A1 SUBSTITUTED PIPERIDINE COMPOUNDS AND THEIR USE AS OREXIN RECEPTOR MODULATORS HCRTR2, HCRTR1, NPY1R HCRTR2 1/4885HCRTR1 2/4885OPRK1 25/4885

“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.