SCHEMBL299730

SCHEMBL299730

CCCCOc1c(CN)n(CC(C)C)c(=O)c2ccc(-c3nc(C(=O)OCC)cs3)cc12

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 17/20 0.44
RAB9A P51151 3/20 0.42
NPC1 O15118 2/20 0.42
CLK1 P49759 1/20 0.42
GAA P10253 1/20 0.41
POLB P06746 1/20 0.37
MAPT P10636 1/20 0.37
PKM P14618 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
RXFP1 Q9HBX9 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
Hydrochloric Acid SCHEMBL5235399 0.99 DPP4 (0.43) DPP4RAB9ANPC1CLK1GAA
SCHEMBL300337 0.91 DPP4 (0.46) DPP4
SCHEMBL300205 0.91 DPP4 (0.44) DPP4
Hydrochloric Acid SCHEMBL5237635 0.90 DPP4 (0.45) DPP4
Hydrochloric Acid SCHEMBL5231118 0.90 DPP4 (0.45) DPP4
Hydrochloric Acid SCHEMBL5231815 0.87 DPP4 (0.43) DPP4
SCHEMBL5236366 0.86 ABCB1 (0.38) DPP4RAB9ANPC1CLK1GAA
Hydrochloric Acid SCHEMBL5232287 0.85 DPP4 (0.43) DPP4
SCHEMBL5238967 0.85 DPP4 (0.42) DPP4
SCHEMBL5237323 0.85 DPP4 (0.44) DPP4

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
EP-1355886-B1 FUSED HETEROCYCLIC COMPOUNDS TAKEDA PHARMACEUTICAL (JP) 2007-07-11 EP claimed
US-7034039-B2 Fused heterocyclic compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-04-25 US claimed
US-20040082607-A1 Fused heterocyclic compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-04-29 US claimed
WO-2002062764-A9 FUSED HETEROCYCLIC COMPOUNDS TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2002-10-10 WO claimed
US-8980322-B2 Controlled release composition TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-03-17 US disclosed
EP-2191824-B1 Modified release 1-[(3-hydroxy-adamant-1-ylamino)-acetyl]-pyrrolidine-2(s)-carbonitrile formulation NOVARTIS AG (CH) 2012-03-14 EP disclosed
EP-1671649-B1 Dipeptidyl peptidase IV inhibitors for treating diabetic patients with sulfonylurea secondary failure TAKEDA PHARMACEUTICAL (JP) 2011-11-23 EP disclosed
US-20110086096-A1 MODIFIED RELEASE 1- [ (3-HYDROXY-ADAMANT-1-YLAMINO)-ACETYL] -PYRROLIDINE-2 (S) -CARBONITRILE FORMULATION KOWALSKI JAMES 2011-04-14 US disclosed
EP-2191824-A1 Modified release 1-[(3-hydroxy-adamant-1-ylamino)-acetyl]-pyrrolidine-2(s)-carbonitrile formulation Novartis AG (CH) 2010-06-02 EP disclosed
US-20100021539-A1 Modified Release 1-[(3-Hydroxy-Adamant-1-Ylamino)-Acetyl]-Pyrrolidine-2(S)-Carbonitrile Formulation KOWALSKI JAMES 2010-01-28 US disclosed
EP-1898904-B1 MODIFIED RELEASE 1-[(3-HYDROXY-ADAMANT-1-YLAMINO)-ACETYL]-PYRROLIDINE-2(S)-CARBONITRILE FORMULATION NOVARTIS AG (CH) 2009-10-07 EP disclosed
US-20070259927-A1 Remedy for Diabetes TAKEDA PHARMACEUTICAL COMPANY LIMITED 2007-11-08 US disclosed
US-20070072810-A1 Agent for treating diabetes TAKEDA PHARMACEUTICAL COMPANY, LIMITED 2007-03-29 US disclosed
US-20060177509-A1 Controlled release composition TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-08-10 US disclosed
EP-1671649-A1 REMEDY FOR DIABETES Takeda Pharmaceutical Company Limited (JP) 2006-06-21 EP disclosed
US-7034039-B2 Fused heterocyclic compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-04-25 US disclosed
US-20060039974-A1 Sustained release preparation TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-02-23 US disclosed
EP-1607088-A1 CONTROLLED RELEASE COMPOSITION Takeda Pharmaceutical Company Limited (JP) 2005-12-21 EP disclosed
EP-1537880-A1 SUSTAINED RELEASE PREPARATION Takeda Pharmaceutical Company Limited (JP) 2005-06-08 EP disclosed
US-20040082607-A1 Fused heterocyclic compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-04-29 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-20040082607-A1 Fused heterocyclic compounds DPP7, DPP4, METAP1 DPP4 2/4885RAB9A 3400/4885NPC1 2372/4885
US-20070259927-A1 Remedy for Diabetes IAPP, DPP4, PNLIP DPP4 2/4885RAB9A 4365/4885NPC1 2964/4885
US-20110086096-A1 MODIFIED RELEASE 1- [ (3-HYDROXY-ADAMANT-1-YLAMINO)-ACETYL] -PYRROLIDINE-2 (S) -CARBONITRILE FORMULATION MAST1, CACNG1, CMA1 DPP4 267/4885RAB9A 3532/4885NPC1 346/4885
US-20070072810-A1 Agent for treating diabetes IAPP, DPP4, GLP1R DPP4 2/4885RAB9A 3115/4885NPC1 2009/4885
US-20060039974-A1 Sustained release preparation DPP4, DPP7, DPP3 DPP4 1/4885RAB9A 3059/4885NPC1 1341/4885
US-20100021539-A1 Modified Release 1-[(3-Hydroxy-Adamant-1-Ylamino)-Acetyl]-Pyrrolidine-2(S)-Carbonitrile Formulation MAST1, CMA1, SUCNR1 DPP4 195/4885RAB9A 3571/4885NPC1 370/4885
US-20060177509-A1 Controlled release composition ATP6AP1, NSF, ATP6V1G1 DPP4 2445/4885RAB9A 1152/4885NPC1 1800/4885

“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.