SCHEMBL1463384

SCHEMBL1463384

Cc1ccc(Cl)c(C(=O)N2CC[C@@H](CNc3nc4cccc(F)c4o3)C2)c1

nearest known ligand 0.45

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
THRB P10828 6/20 0.42
HCRTR1 O43613 7/20 0.39
HCRTR2 O43614 7/20 0.39
MAPK10 P53779 1/20 0.39
ITGB1 P05556 1/20 0.39
ITGA4 P13612 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
SCHEMBL1463387 1.00 THRB (0.42) THRBHCRTR1HCRTR2MAPK10ITGB1
SCHEMBL1463388 1.00 THRB (0.42) THRBHCRTR1HCRTR2MAPK10ITGB1
SCHEMBL1559742 0.90 HCRTR1 (0.47) THRBHCRTR1HCRTR2MAPK10ITGB1
SCHEMBL1463268 0.89 THRB (0.44) THRBHCRTR1HCRTR2
SCHEMBL1463010 0.89 THRB (0.44) THRBHCRTR1HCRTR2
SCHEMBL1463008 0.89 THRB (0.44) THRBHCRTR1HCRTR2
SCHEMBL1463214 0.88 HCRTR1 (0.45) THRBHCRTR1HCRTR2
SCHEMBL1463211 0.88 HCRTR1 (0.45) THRBHCRTR1HCRTR2
SCHEMBL1463212 0.88 HCRTR1 (0.45) THRBHCRTR1HCRTR2
SCHEMBL4240923 0.87 GFER (0.40) THRBHCRTR1HCRTR2MAPK10

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 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2303871-B1 PYRROLIDIN-3-YLMETHYL-AMINE AS OREXIN ANTAGONISTS HOFFMANN LA ROCHE (CH) 2012-05-09 EP claimed
JP-2011529096-A 2011-12-01 JP claimed
US-7923470-B2 Benzooxazoles as orexin antagonists HOFFMANN-LA ROCHE INC. (US) 2011-04-12 US claimed
EP-2303871-A1 PYRROLIDIN-3-YLMETHYL-AMINE AS OREXIN ANTAGONISTS F. Hoffmann-La Roche AG (CH) 2011-04-06 EP claimed
WO-2010012620-A1 PYRROLIDIN-3-YLMETHYL-AMINE AS OREXIN ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2010-02-04 WO claimed
US-20100029664-A1 PYRROLIDIN-3-YLMETHYL-AMINE AS OREXIN ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2010-02-04 US claimed
US-8748430-B2 Pyrrolidin-3yl-methylamine quinoxaline derivatives Hoffmann-La Roche Inc (US) 2014-06-10 US disclosed
US-8748430-B2 Pyrrolidin-3yl-methylamine quinoxaline derivatives Hoffmann-La Roche Inc (US) 2014-06-10 US disclosed
US-8748430-B2 Pyrrolidin-3yl-methylamine quinoxaline derivatives Hoffmann-La Roche Inc (US) 2014-06-10 US disclosed
US-20120232084-A1 PYRROLIDIN-3-YLMETHYL-AMINE AS OREXIN ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2012-09-13 US disclosed
US-20120232084-A1 PYRROLIDIN-3-YLMETHYL-AMINE AS OREXIN ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2012-09-13 US disclosed
US-20120232084-A1 PYRROLIDIN-3-YLMETHYL-AMINE AS OREXIN ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2012-09-13 US disclosed
US-8207220-B2 Substituted benzothiazoles as orexin antagonists HOFFMANN-LA ROCHE INC. (US) 2012-06-26 US disclosed
US-20110071154-A1 PYRROLIDIN-3-YLMETHYL-AMINE AS OREXIN ANTAGONISTS KNUST HENNER 2011-03-24 US disclosed
US-20110071154-A1 PYRROLIDIN-3-YLMETHYL-AMINE AS OREXIN ANTAGONISTS KNUST HENNER 2011-03-24 US disclosed
US-20110071154-A1 PYRROLIDIN-3-YLMETHYL-AMINE AS OREXIN ANTAGONISTS KNUST HENNER 2011-03-24 US disclosed
WO-2010012620-A1 PYRROLIDIN-3-YLMETHYL-AMINE AS OREXIN ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2010-02-04 WO disclosed
US-20100029664-A1 PYRROLIDIN-3-YLMETHYL-AMINE AS OREXIN ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2010-02-04 US disclosed
US-20100029664-A1 PYRROLIDIN-3-YLMETHYL-AMINE AS OREXIN ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2010-02-04 US disclosed
US-20100029664-A1 PYRROLIDIN-3-YLMETHYL-AMINE AS OREXIN ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2010-02-04 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 (3 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-20110071154-A1 PYRROLIDIN-3-YLMETHYL-AMINE AS OREXIN ANTAGONISTS HCRTR2, HCRTR1, NPY2R THRB 412/4885HCRTR1 2/4885HCRTR2 1/4885
US-20100029664-A1 PYRROLIDIN-3-YLMETHYL-AMINE AS OREXIN ANTAGONISTS HCRTR2, HCRTR1, NPY2R THRB 412/4885HCRTR1 2/4885HCRTR2 1/4885
US-20120232084-A1 PYRROLIDIN-3-YLMETHYL-AMINE AS OREXIN ANTAGONISTS HCRTR2, HCRTR1, NPY2R THRB 412/4885HCRTR1 2/4885HCRTR2 1/4885

“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.