SCHEMBL2845396

SCHEMBL2845396

Cc1nc(OCC(=O)N(C)C2CCN(Cc3ccc(Cl)cc3)CC2)nc(C)c1NC(=O)OC(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 2/20 0.42
KCNH2 Q12809 6/20 0.42
GPR119 Q8TDV5 5/20 0.42
P2RX3 P56373 1/20 0.40
CCR5 P51681 1/20 0.39
CCR1 P32246 1/20 0.38
ABCB11 O95342 1/20 0.38
LSS P48449 1/20 0.38
KMT2A Q03164 1/20 0.38
ALDH1A1 P00352 1/20 0.37
HTT P42858 1/20 0.37
LTA4H P09960 1/20 0.37
CHRM4 P08173 1/20 0.37
FAAH O00519 1/20 0.36
BCHE P06276 1/20 0.36
ACHE P22303 1/20 0.36

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
SCHEMBL2840757 0.93 KCNH2 (0.43) MCHR1KCNH2GPR119CCR5CHRM4
SCHEMBL2849169 0.92 KCNH2 (0.47) MCHR1KCNH2GPR119CCR5FAAH
SCHEMBL2843837 0.91 KCNH2 (0.42) MCHR1KCNH2GPR119LTA4H
SCHEMBL2848514 0.91 KCNH2 (0.45) MCHR1KCNH2GPR119CCR5CHRM4
SCHEMBL2839101 0.90 ACHE (0.41) MCHR1KCNH2GPR119CCR5CHRM4
SCHEMBL2839038 0.87 UBE2M (0.41) KCNH2KMT2AALDH1A1CHRM4
SCHEMBL2849184 0.87 KCNH2 (0.40) MCHR1KCNH2GPR119CCR5KMT2A
SCHEMBL15934516 0.86 MCHR1 (0.41) MCHR1KCNH2GPR119LTA4H
SCHEMBL2844456 0.86 ALDH1A1 (0.42) KCNH2ALDH1A1FAAHACHE
SCHEMBL2850091 0.86 ALDH1A1 (0.46) MCHR1CCR5KMT2AALDH1A1FAAH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2679586-B1 Nitrogen-containing six-membered aromatic ring derivatives and pharmaceutical products containing the same DAIICHI SANKYO CO LTD (JP) 2016-02-10 EP disclosed
EP-2679586-B1 Nitrogen-containing six-membered aromatic ring derivatives and pharmaceutical products containing the same DAIICHI SANKYO CO LTD (JP) 2016-02-10 EP disclosed
US-9156817-B2 Nitrogen-containing six-membered aromatic ring derivatives and pharmaceutical products containing the same DAIICHI SANKYO COMPANY, LIMITED (JP) 2015-10-13 US disclosed
US-9156817-B2 Nitrogen-containing six-membered aromatic ring derivatives and pharmaceutical products containing the same DAIICHI SANKYO COMPANY, LIMITED (JP) 2015-10-13 US disclosed
US-9139559-B2 Nitrogen-containing six-membered aromatic ring derivatives and pharmaceutical products containing the same DAIICHI SANKYO COMPANY, LIMITED (JP) 2015-09-22 US disclosed
US-9139559-B2 Nitrogen-containing six-membered aromatic ring derivatives and pharmaceutical products containing the same DAIICHI SANKYO COMPANY, LIMITED (JP) 2015-09-22 US disclosed
US-20140336209-A1 NITROGEN-CONTAINING SIX-MEMBERED AROMATIC RING DERIVATIVES AND PHARMACEUTICAL PRODUCTS CONTAINING THE SAME DAIICHI SANKYO CO LTD (JP) 2014-11-13 US disclosed
US-20140336209-A1 NITROGEN-CONTAINING SIX-MEMBERED AROMATIC RING DERIVATIVES AND PHARMACEUTICAL PRODUCTS CONTAINING THE SAME DAIICHI SANKYO CO LTD (JP) 2014-11-13 US disclosed
US-20140221409-A1 NITROGEN-CONTAINING SIX-MEMBERED AROMATIC RING DERIVATIVES AND PHARMACEUTICAL PRODUCTS CONTAINING THE SAME DAIICHI SANKYO COMPANY, LIMITED (JP) 2014-08-07 US disclosed
US-20140221409-A1 NITROGEN-CONTAINING SIX-MEMBERED AROMATIC RING DERIVATIVES AND PHARMACEUTICAL PRODUCTS CONTAINING THE SAME DAIICHI SANKYO COMPANY, LIMITED (JP) 2014-08-07 US disclosed
EP-2151439-B1 NITROGENATED AROMATIC 6-MEMBERED RING DERIVATIVE, AND PHARMACEUTICAL AGENT COMPRISING THE SAME DAIICHI SANKYO CO LTD (JP) 2014-02-26 EP disclosed
EP-2679586-A1 Nitrogen-containing six-membered aromatic ring derivatives and pharmaceutical products containing the same Daiichi Sankyo Company, Limited (JP) 2014-01-01 EP disclosed
EP-2679586-A1 Nitrogen-containing six-membered aromatic ring derivatives and pharmaceutical products containing the same Daiichi Sankyo Company, Limited (JP) 2014-01-01 EP disclosed
US-8592435-B2 Nitrogen-containing six-membered aromatic ring derivatives and pharmaceutical products containing the same DAIICHI SANKYO COMPANY, LIMITED (JP) 2013-11-26 US disclosed
US-20120258978-A1 NITROGEN-CONTAINING SIX-MEMBERED AROMATIC RING DERIVATIVES AND PHARMACEUTICAL PRODUCTS CONTAINING THE SAME DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-10-11 US disclosed
US-20120258978-A1 NITROGEN-CONTAINING SIX-MEMBERED AROMATIC RING DERIVATIVES AND PHARMACEUTICAL PRODUCTS CONTAINING THE SAME DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-10-11 US disclosed
US-20100130739-A1 NITROGEN-CONTAINING SIX-MEMBERED AROMATIC RING DERIVATIVES AND PHARMACEUTICAL PRODUCTS CONTAINING THE SAME ASUBIO PHARMA CO., LTD. (JP) 2010-05-27 US disclosed
US-20100130739-A1 NITROGEN-CONTAINING SIX-MEMBERED AROMATIC RING DERIVATIVES AND PHARMACEUTICAL PRODUCTS CONTAINING THE SAME ASUBIO PHARMA CO., LTD. (JP) 2010-05-27 US disclosed
US-20100130739-A1 NITROGEN-CONTAINING SIX-MEMBERED AROMATIC RING DERIVATIVES AND PHARMACEUTICAL PRODUCTS CONTAINING THE SAME ASUBIO PHARMA CO., LTD. (JP) 2010-05-27 US disclosed
EP-2151439-A1 NITROGENATED AROMATIC 6-MEMBERED RING DERIVATIVE, AND PHARMACEUTICAL AGENT COMPRISING THE SAME Asubio Pharma Co., Ltd. (JP) 2010-02-10 EP 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 (4 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-20120258978-A1 NITROGEN-CONTAINING SIX-MEMBERED AROMATIC RING DERIVATIVES AND PHARMACEUTICAL PRODUCTS CONTAINING THE SAME NGF, VEGFA, BDNF MCHR1 3250/4885KCNH2 1878/4885GPR119 625/4885
US-20140221409-A1 NITROGEN-CONTAINING SIX-MEMBERED AROMATIC RING DERIVATIVES AND PHARMACEUTICAL PRODUCTS CONTAINING THE SAME NGF, VEGFA, NRP1 MCHR1 3774/4885KCNH2 843/4885GPR119 567/4885
US-20140336209-A1 NITROGEN-CONTAINING SIX-MEMBERED AROMATIC RING DERIVATIVES AND PHARMACEUTICAL PRODUCTS CONTAINING THE SAME NGF, VEGFA, NRP1 MCHR1 3774/4885KCNH2 843/4885GPR119 567/4885
US-20100130739-A1 NITROGEN-CONTAINING SIX-MEMBERED AROMATIC RING DERIVATIVES AND PHARMACEUTICAL PRODUCTS CONTAINING THE SAME NGF, VEGFA, NRP1 MCHR1 3774/4885KCNH2 843/4885GPR119 567/4885

“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.