SCHEMBL11985524

SCHEMBL11985524

CC(C)(C)C(=O)c1ccccc1-n1nccn1

nearest known ligand 0.50

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 18/20 0.50
HCRTR2 O43614 16/20 0.50

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
SCHEMBL17448827 0.82 HCRTR2 (0.48) HCRTR1HCRTR2
SCHEMBL12150154 0.80 HCRTR2 (0.45) HCRTR1HCRTR2
SCHEMBL17448828 0.80 HCRTR1 (0.40) HCRTR1HCRTR2
SCHEMBL17069779 0.79 HCRTR1 (0.51) HCRTR1HCRTR2
SCHEMBL17069777 0.79 HCRTR1 (0.42) HCRTR1HCRTR2
SCHEMBL30006500 0.78 ALDH1A1 (0.56) HCRTR1HCRTR2
SCHEMBL1586233 0.78 ALDH1A1 (0.56) HCRTR1HCRTR2
SCHEMBL17069769 0.78 HCRTR2 (0.49) HCRTR1HCRTR2
SCHEMBL18160582 0.78 HCRTR2 (0.47) HCRTR1HCRTR2
SCHEMBL18195532 0.78 MYC (0.41) HCRTR1HCRTR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9975876-B2 2-pyridyloxy-3-ester-4-ether orexin receptor antagonists MERCK SHARP & DOHME CORP. (US) 2018-05-22 US disclosed
US-9975876-B2 2-pyridyloxy-3-ester-4-ether orexin receptor antagonists MERCK SHARP & DOHME CORP. (US) 2018-05-22 US disclosed
US-9745284-B2 2-pyridyloxy-4-ether orexin receptor antagonists MERCK SHARP & DOHME CORP. (US) 2017-08-29 US disclosed
US-9745284-B2 2-pyridyloxy-4-ether orexin receptor antagonists MERCK SHARP & DOHME CORP. (US) 2017-08-29 US disclosed
US-9556145-B2 2-pyridyloxy-4-ester orexin receptor antagonists MERCK SHARP & DOHME CORP. (US) 2017-01-31 US disclosed
US-9556145-B2 2-pyridyloxy-4-ester orexin receptor antagonists MERCK SHARP & DOHME CORP. (US) 2017-01-31 US disclosed
US-20160304490-A1 2-PYRIDYLOXY-3-ESTER-4-ETHER OREXIN RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2016-10-20 US disclosed
US-20160214960-A1 2-PYRIDYLOXY-4-ESTER OREXIN RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2016-07-28 US disclosed
US-20160068514-A1 HALO AND TRIFLUOROMETHYL SUBSTITUTED OREXIN RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2016-03-10 US disclosed
US-20160016935-A1 2-PYRIDYLOXY-4-ETHER OREXIN RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2016-01-21 US disclosed
US-8653260-B2 Hydroxymethyl pyrrolidines as beta 3 adrenergic receptor agonists MERCK SHARP & DOHME CORP. (US) 2014-02-18 US disclosed
US-8399480-B2 Hydroxymethyl pyrrolidines as beta 3 adrenergic receptor agonists MERCK SHARP & DOHME CORP. (US) 2013-03-19 US disclosed
US-20120258963-A1 HYDROXYMETHYL PYRROLIDINES AS BETA 3 ADRENERGIC RECEPTOR AGONISTS MERCK SHARP & DOHME CORP. 2012-10-11 US disclosed
US-8247415-B2 Hydroxymethyl pyrrolidines as β3 adrenergic receptor agonists MERCK SHARP & DOHME CORP. (US) 2012-08-21 US disclosed
US-20110028481-A1 HYDROXYMETHYL PYRROLIDINES AS BETA 3 ADRENERGIC RECEPTOR AGONISTS MERCK SHARP & DOHME CORP. 2011-02-03 US disclosed
US-20090253705-A1 HYDROXYMETHYL PYRROLIDINES AS BETA 3 ADRENERGIC RECEPTOR AGONISTS MERCK SHARP & DOHME LLC 2009-10-08 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 (7 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-20110028481-A1 HYDROXYMETHYL PYRROLIDINES AS BETA 3 ADRENERGIC RECEPTOR AGONISTS ADRB3, ADRB1, ADRB2 HCRTR1 527/4885HCRTR2 330/4885
US-20120258963-A1 HYDROXYMETHYL PYRROLIDINES AS BETA 3 ADRENERGIC RECEPTOR AGONISTS ADRB3, ADRB1, ADRB2 HCRTR1 527/4885HCRTR2 330/4885
US-20090253705-A1 HYDROXYMETHYL PYRROLIDINES AS BETA 3 ADRENERGIC RECEPTOR AGONISTS ADRB3, ADRB1, ADRB2 HCRTR1 527/4885HCRTR2 330/4885
US-20160068514-A1 HALO AND TRIFLUOROMETHYL SUBSTITUTED OREXIN RECEPTOR ANTAGONISTS HCRTR2, HCRTR1, CRHR1 HCRTR1 2/4885HCRTR2 1/4885
US-20160214960-A1 2-PYRIDYLOXY-4-ESTER OREXIN RECEPTOR ANTAGONISTS HCRTR2, HCRTR1, NPY4R HCRTR1 2/4885HCRTR2 1/4885
US-20160304490-A1 2-PYRIDYLOXY-3-ESTER-4-ETHER OREXIN RECEPTOR ANTAGONISTS HCRTR2, HCRTR1, NPY4R HCRTR1 2/4885HCRTR2 1/4885
US-20160016935-A1 2-PYRIDYLOXY-4-ETHER OREXIN RECEPTOR ANTAGONISTS HCRTR2, HCRTR1, NPY2R HCRTR1 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.