SCHEMBL4536497

SCHEMBL4536497

COc1cccc(OC)c1C1CCCCC(=O)N1Cc1ccnc(-c2ccccc2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 20/20 1.00
HCRTR2 O43614 20/20 1.00

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
SCHEMBL4529478 0.97 HCRTR1 (1.00) HCRTR1HCRTR2
SCHEMBL4536809 0.93 HCRTR1 (1.00) HCRTR1HCRTR2
SCHEMBL4542712 0.88 HCRTR1 (1.00) HCRTR1HCRTR2
SCHEMBL4536092 0.88 HCRTR1 (1.00) HCRTR1HCRTR2
SCHEMBL4535638 0.86 HCRTR1 (1.00) HCRTR1HCRTR2
SCHEMBL4533795 0.85 HCRTR1 (1.00) HCRTR1HCRTR2
SCHEMBL4542671 0.85 HCRTR1 (1.00) HCRTR1HCRTR2
SCHEMBL4536304 0.85 HCRTR1 (1.00) HCRTR1HCRTR2
SCHEMBL4534513 0.83 HCRTR1 (1.00) HCRTR1HCRTR2
SCHEMBL4541861 0.83 HCRTR1 (1.00) 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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9242970-B2 Lactam derivatives useful as orexin receptor antagonists ACTELION PHARMACEUTICALS LTD. (CH) 2016-01-26 US claimed
EP-2638008-B1 LACTAM DERIVATIVES USEFUL AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2015-07-01 EP claimed
EP-2638008-A1 LACTAM DERIVATIVES USEFUL AS OREXIN RECEPTOR ANTAGONISTS Actelion Pharmaceuticals Ltd. (CH) 2013-09-18 EP claimed
US-20130237525-A1 LACTAM DERIVATIVES USEFUL AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD. (CH) 2013-09-12 US claimed
WO-2012063207-A1 LACTAM DERIVATIVES USEFUL AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2012-05-18 WO claimed
US-20180036317-A1 METHOD OF TREATING CONDITIONS WITH KINASE INHIBITORS ALLERGAN INC (US) 2018-02-08 US disclosed
US-9820989-B2 Method of treating conditions with kinase inhibitors ALLERGAN, INC. (US) 2017-11-21 US disclosed
US-20170143728-A1 METHOD OF TREATING CONDITIONS WITH KINASE INHIBITORS ALLERGAN, INC. 2017-05-25 US disclosed
EP-2825537-B1 DIHYDROPYRIDOPYRIMIDINE AND DIHYDRONAPHTHYRIDINE DERIVATIVES AS TYROSINE KINASE INHIBITORS OF ESPECIALLY VEGF AND PDGF ALLERGAN INC (US) 2017-01-04 EP disclosed
US-9388176-B2 Method of treating conditiions with kinase inhibitors ALLERGAN, INC. (US) 2016-07-12 US disclosed
US-9242970-B2 Lactam derivatives useful as orexin receptor antagonists ACTELION PHARMACEUTICALS LTD. (CH) 2016-01-26 US disclosed
EP-2638008-B1 LACTAM DERIVATIVES USEFUL AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2015-07-01 EP disclosed
US-8889870-B2 Kinase inhibitors ALLERGAN, INC. (US) 2014-11-18 US disclosed
WO-2013138393-A1 METHOD OF TREATING OPHTHALMIC CONDITIONS WITH KINASE INHIBITORS ALLERGAN, INC. (US) 2013-09-19 WO disclosed
WO-2013138396-A1 DIHYDROPYRIDOPYRIMIDINE AND DIHYDRONAPHTHYRIDINE DERIVATIVES AS TYROSINE KINASE INHIBITORS OF ESPECIALLY VEGF AND PDGF ALLERGAN, INC. (US) 2013-09-19 WO disclosed
EP-2638008-A1 LACTAM DERIVATIVES USEFUL AS OREXIN RECEPTOR ANTAGONISTS Actelion Pharmaceuticals Ltd. (CH) 2013-09-18 EP disclosed
US-20130237537-A1 METHOD OF TREATING CONDITIIONS WITH KINASE INHIBITORS ALLERGAN, INC. (US) 2013-09-12 US disclosed
US-20130237525-A1 LACTAM DERIVATIVES USEFUL AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD. (CH) 2013-09-12 US disclosed
US-20130237538-A1 KINASE INHIBITORS ALLERGAN, INC. (US) 2013-09-12 US disclosed
WO-2012063207-A1 LACTAM DERIVATIVES USEFUL AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2012-05-18 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 (5 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-20180036317-A1 METHOD OF TREATING CONDITIONS WITH KINASE INHIBITORS MAP3K1, MAPK1, MAP3K2 HCRTR1 1777/4885HCRTR2 1993/4885
US-20130237525-A1 LACTAM DERIVATIVES USEFUL AS OREXIN RECEPTOR ANTAGONISTS HCRTR2, HCRTR1, NPY1R HCRTR1 2/4885HCRTR2 1/4885
US-20170143728-A1 METHOD OF TREATING CONDITIONS WITH KINASE INHIBITORS MAP3K1, MAPK1, MAP3K2 HCRTR1 1777/4885HCRTR2 1993/4885
US-20130237537-A1 METHOD OF TREATING CONDITIIONS WITH KINASE INHIBITORS CDK5, MAP3K1, ALDH1A2 HCRTR1 892/4885HCRTR2 1520/4885
US-20130237538-A1 KINASE INHIBITORS MAP3K1, MAP3K6, MAP3K2 HCRTR1 4718/4885HCRTR2 4606/4885

“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.