SCHEMBL2328067

SCHEMBL2328067

CC(C)(C)OC(=O)N1CCN(CC(O)c2ccc3ccc4ncc(Cl)cc4c(=O)c3c2)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.44
CNR1 P21554 4/20 0.43
BACE1 P56817 1/20 0.40
MET P08581 3/20 0.40
MST1R Q04912 2/20 0.40
ALDH1A1 P00352 3/20 0.38
MAPT P10636 2/20 0.38
GAA P10253 1/20 0.38
ABCB1 P08183 1/20 0.38
CYP3A4 P08684 2/20 0.38
CYP3A5 P20815 2/20 0.38
NPC1 O15118 1/20 0.38
MAPK1 P28482 1/20 0.38
HTT P42858 1/20 0.38
RAB9A P51151 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
PDE3B Q13370 1/20 0.37
PDE3A Q14432 1/20 0.37
VEGFA P15692 1/20 0.37
EGLN1 Q9GZT9 1/20 0.37

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
SCHEMBL2325791 0.87 MET (0.42) TSHRCNR1METMST1RALDH1A1
SCHEMBL2326086 0.86 MET (0.60) METMST1R
SCHEMBL2328064 0.79 MET (0.38) TSHRCNR1METMST1R
SCHEMBL5157605 0.75 CYP3A4 (0.47) TSHRCNR1BACE1ALDH1A1MAPT
SCHEMBL1978087 0.69 MEN1 (0.56) CNR1ALDH1A1MAPTABCB1CYP3A4
SCHEMBL28132895 0.69 CNR1 (0.49) CNR1ALDH1A1MAPTABCB1CYP3A4
SCHEMBL5758560 0.68 SLC2A1 (0.55) TSHRALDH1A1CYP3A4KDM4E
SCHEMBL5758562 0.68 SLC2A1 (0.55) TSHRALDH1A1CYP3A4KDM4E
SCHEMBL5758556 0.68 SLC2A1 (0.55) TSHRALDH1A1CYP3A4KDM4E
SCHEMBL2449318 0.68 MET (0.51) METMST1R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1896421-B1 BENZOCYCLOHEPTAPYRIDINES AS INHIBITORS OF THE RECEPTOR TYROSINE KINASE MET MERCK SHARP & DOHME (US) 2011-09-14 EP claimed
EP-1896422-B1 TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME (US) 2011-08-17 EP claimed
US-20090197908-A1 Benzocycloheptapyridines as inhibitors of the receptor tyrosine kinase met MERCK SHARP & DOHME LLC 2009-08-06 US claimed
US-7550478-B2 Tyrosine kinase inhibitors MERCK & CO. INC. (US) 2009-06-23 US claimed
EP-1896422-A2 TYROSINE KINASE INHIBITORS Merck & Co., Inc. (US) 2008-03-12 EP claimed
WO-2007002258-A2 BENZOCYCLOHEPTAPYRIDINES AS INHIBITORS OF THE RECEPTOR TYROSINE KINASE MET MERCK & CO., INC. (US) 2007-01-04 WO claimed
US-20060293358-A1 Tyrosine kinase inhibitors MERCK SHARP & DOHME LLC 2006-12-28 US claimed
US-8207186-B2 Benzocycloheptapyridines as inhibitors of the receptor tyrosine kinase MET MERCK SHARP & DOHME CORP. (US) 2012-06-26 US disclosed
US-8207186-B2 Benzocycloheptapyridines as inhibitors of the receptor tyrosine kinase MET MERCK SHARP & DOHME CORP. (US) 2012-06-26 US disclosed
US-8207186-B2 Benzocycloheptapyridines as inhibitors of the receptor tyrosine kinase MET MERCK SHARP & DOHME CORP. (US) 2012-06-26 US disclosed
EP-1896421-B1 BENZOCYCLOHEPTAPYRIDINES AS INHIBITORS OF THE RECEPTOR TYROSINE KINASE MET MERCK SHARP & DOHME (US) 2011-09-14 EP disclosed
EP-1896421-B1 BENZOCYCLOHEPTAPYRIDINES AS INHIBITORS OF THE RECEPTOR TYROSINE KINASE MET MERCK SHARP & DOHME (US) 2011-09-14 EP disclosed
EP-1896422-B1 TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME (US) 2011-08-17 EP disclosed
US-7550478-B2 Tyrosine kinase inhibitors MERCK & CO. INC. (US) 2009-06-23 US disclosed
US-7550478-B2 Tyrosine kinase inhibitors MERCK & CO. INC. (US) 2009-06-23 US disclosed
US-7550478-B2 Tyrosine kinase inhibitors MERCK & CO. INC. (US) 2009-06-23 US disclosed
EP-1896422-A2 TYROSINE KINASE INHIBITORS Merck & Co., Inc. (US) 2008-03-12 EP disclosed
WO-2007002254-A2 BENZOCYCLOHEPTAPYRIDINES AS INHIBITORS OF THE RECEPTOR TYROSINE KINASE MET MERCK & CO., INC. (US) 2007-01-04 WO disclosed
WO-2007002258-A2 BENZOCYCLOHEPTAPYRIDINES AS INHIBITORS OF THE RECEPTOR TYROSINE KINASE MET MERCK & CO., INC. (US) 2007-01-04 WO disclosed
US-20060293358-A1 Tyrosine kinase inhibitors MERCK SHARP & DOHME LLC 2006-12-28 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-20060293358-A1 Tyrosine kinase inhibitors ABL1, ERBB2, RET TSHR 1645/4885CNR1 1627/4885BACE1 3639/4885
US-20090197908-A1 Benzocycloheptapyridines as inhibitors of the receptor tyrosine kinase met MET, RET, ERBB2 TSHR 1321/4885CNR1 548/4885BACE1 3645/4885

“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.