SCHEMBL666248

SCHEMBL666248

CS(=O)(=O)O.Cc1oc(-c2ccccc2)nc1CCNCC(=O)N1CCC[C@H]1C#N

nearest known ligand 0.59

Known targets — ChEMBL curated mechanism

ABL1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB2AGTR1BCL2BCL2A1BCL2L1BCL2L10BCL2L2BCRBRAFCHRM1CHRNA10CHRNA9DRD1DRD2DRD3DRD4DRD5EGFRF2FLT1FLT4GCKGHSRGNRHRGRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BHTR1AHTR1BHTR1DHTR2AHTR2CHTR3AIDH2KDRKITMAOBMCL1MTTPPP4HBPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PIKFYVEROCK1ROCK2SLC18A2SLC6A2SLC6A3SLC6A4TACR1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8gyrAgyrBparCparEpol

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 20/20 0.59
DPP8 Q6V1X1 7/20 0.51
DPP7 Q9UHL4 4/20 0.51

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
SCHEMBL2976242 1.00 DPP4 (0.59) DPP4DPP8DPP7
SCHEMBL875490 0.97 DPP4 (0.63) DPP4DPP8DPP7
SCHEMBL197391 0.97 DPP4 (0.63) DPP4DPP8DPP7
SCHEMBL1436263 0.88 DPP4 (0.55) DPP4DPP8DPP7
SCHEMBL666999 0.88 DPP4 (0.55) DPP4DPP8DPP7
SCHEMBL4594315 0.88 DPP4 (0.54) DPP4DPP8DPP7
SCHEMBL665830 0.88 DPP4 (0.54) DPP4DPP8DPP7
SCHEMBL1436492 0.88 DPP4 (0.55) DPP4
SCHEMBL667336 0.88 DPP4 (0.55) DPP4
SCHEMBL4636425 0.87 DPP4 (0.58) DPP4DPP8DPP7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7772264-B2 Salt and polymorphs of a DPPIV inhibitor HOFFMANN-LA ROCHE INC. (US) 2010-08-10 US claimed
JP-2008534470-A 2008-08-28 JP claimed
EP-1888571-A2 NEW SALT AND POLYMORPHS OF A DPP-IV INHIBITOR F. Hoffmann-Roche AG (CH) 2008-02-20 EP claimed
WO-2006100181-A2 NEW SALT AND POLYMORPHS OF A DPP-IV INHIBITOR F. HOFFMANN-LA ROCHE AG (CH) 2006-09-28 WO claimed
US-20060217428-A1 Salt and polymorphs of a DPPIV inhibitor HOFFMANN-LA ROCHE INC. 2006-09-28 US claimed
US-20210340133-A1 MODULATORS OF THE GPR119 RECEPTOR AND THE TREATMENT OF DISORDERS RELATED THERETO ARENA PHARMACEUTICALS, INC. 2021-11-04 US disclosed
US-10894787-B2 Modulators of the GPR119 receptor and the treatment of disorders related thereto ARENA PHARMACEUTICALS, INC. (US) 2021-01-19 US disclosed
EP-3323818-A1 MODULATORS OF THE GPR119 RECEPTOR AND THE TREATMENT OF DISORDERS RELATED THERETO Arena Pharmaceuticals, Inc. (US) 2018-05-23 EP disclosed
WO-2014074668-A1 MODULATORS OF GPR119 AND THE TREATMENT OF DISORDERS RELATED THERETO ARENA PHARMACEUTICALS, INC. (US) 2014-05-15 WO disclosed
US-20140066369-A1 Modulators Of The GPR119 Receptor And The Treatment Of Disorders Related Thereto ARENA PHARMACEUTICALS, INC. (US) 2014-03-06 US disclosed
US-20140051629-A1 MODULATORS OF THE GPR119 RECEPTOR AND THE TREATMENT OF DISORDERS RELATED THERETO ARENA PHARMACEUTICALS, INC. (US) 2014-02-20 US disclosed
US-20140051714-A1 Modulators Of The GPR119 Receptor And The Treatment Of Disorders Related Thereto ARENA PHARMACEUTICALS, INC. (US) 2014-02-20 US disclosed
EP-1888571-A2 NEW SALT AND POLYMORPHS OF A DPP-IV INHIBITOR F. Hoffmann-Roche AG (CH) 2008-02-20 EP disclosed
US-20070098781-A1 Modified release compositions for DPP-IV inhibitors HOFFMANN-LA ROCHE INC. 2007-05-03 US disclosed
WO-2007017423-A2 PHARMACEUTICAL COMPOSITION COMPRISING A DPP-IV INHIBITOR F. HOFFMANN-LA ROCHE AG (CH) 2007-02-15 WO disclosed
WO-2006100181-A3 NEW SALT AND POLYMORPHS OF A DPP-IV INHIBITOR HOFFMANN LA ROCHE (CH) 2006-11-30 WO disclosed
US-20060217428-A1 Salt and polymorphs of a DPPIV inhibitor HOFFMANN-LA ROCHE INC. 2006-09-28 US disclosed
WO-2006100181-A2 NEW SALT AND POLYMORPHS OF A DPP-IV INHIBITOR F. HOFFMANN-LA ROCHE AG (CH) 2006-09-28 WO disclosed
WO-2006100181-A2 NEW SALT AND POLYMORPHS OF A DPP-IV INHIBITOR F. HOFFMANN-LA ROCHE AG (CH) 2006-09-28 WO disclosed
US-20060217428-A1 Salt and polymorphs of a DPPIV inhibitor HOFFMANN-LA ROCHE INC. 2006-09-28 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 (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-20070098781-A1 Modified release compositions for DPP-IV inhibitors DPP4, DPP3, DPP7 DPP4 1/4885DPP8 5/4885DPP7 3/4885
US-20210340133-A1 MODULATORS OF THE GPR119 RECEPTOR AND THE TREATMENT OF DISORDERS RELATED THERETO GPR119, GLP1R, SLC5A2 DPP4 4/4885DPP8 10/4885DPP7 8/4885
US-20140051629-A1 MODULATORS OF THE GPR119 RECEPTOR AND THE TREATMENT OF DISORDERS RELATED THERETO GPR119, GLP1R, DPP4 DPP4 3/4885DPP8 10/4885DPP7 8/4885
US-20140051714-A1 Modulators Of The GPR119 Receptor And The Treatment Of Disorders Related Thereto GPR119, GLP1R, DPP4 DPP4 3/4885DPP8 11/4885DPP7 9/4885
US-10894787-B2 Modulators of the GPR119 receptor and the treatment of disorders related thereto GPR119, GLP1R, DPP9 DPP4 5/4885DPP8 12/4885DPP7 9/4885
US-20140066369-A1 Modulators Of The GPR119 Receptor And The Treatment Of Disorders Related Thereto GPR119, GLP1R, SLC5A2 DPP4 6/4885DPP8 28/4885DPP7 11/4885
US-20060217428-A1 Salt and polymorphs of a DPPIV inhibitor DPP4, DPP3, DPP9 DPP4 1/4885DPP8 6/4885DPP7 4/4885

“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.