SCHEMBL1068145

SCHEMBL1068145

Cc1ccccc1Cn1c(N2CCCCC(N)C2)nc2c1c(=O)[nH]c(=O)n2C

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 9/20 0.64
ALDH1A1 P00352 9/20 0.64
HSD17B10 Q99714 2/20 0.64
THRB P10828 1/20 0.64
POLB P06746 2/20 0.62
HTT P42858 3/20 0.61
USP2 O75604 1/20 0.61
GAA P10253 2/20 0.57
ALOX15 P16050 1/20 0.57
KMT2A Q03164 5/20 0.57
MEN1 O00255 4/20 0.57
NPSR1 Q6W5P4 2/20 0.57
DPP4 P27487 4/20 0.56
MAPK1 P28482 3/20 0.55
HPGD P15428 1/20 0.54
PKM P14618 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.52
MAPT P10636 1/20 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
SCHEMBL4669803 0.97 TSHR (0.68) TSHRALDH1A1HSD17B10THRBPOLB
SCHEMBL4667020 0.90 TSHR (0.63) TSHRALDH1A1HSD17B10THRBPOLB
SCHEMBL14569478 0.90 TSHR (0.63) TSHRALDH1A1HSD17B10THRBPOLB
SCHEMBL4667765 0.90 ALDH1A1 (0.79) TSHRALDH1A1HSD17B10THRBHTT
SCHEMBL4666981 0.89 TSHR (0.72) TSHRALDH1A1HSD17B10THRBPOLB
SCHEMBL4668747 0.89 DPP4 (0.72) TSHRALDH1A1HSD17B10THRBHTT
SCHEMBL4668779 0.88 DPP4 (0.62) TSHRALDH1A1HSD17B10THRBHTT
SCHEMBL4669718 0.88 DPP4 (0.59) TSHRALDH1A1HSD17B10THRBHTT
SCHEMBL4668592 0.88 TSHR (0.83) TSHRALDH1A1HSD17B10THRBHTT
SCHEMBL4668505 0.88 TSHR (0.83) TSHRALDH1A1HSD17B10THRBHTT

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
US-7192952-B2 Heterocyclic compounds that are inhibitors of the enzyme DPP-IV NOVO NORDISK, A/S (DK) 2007-03-20 US claimed
EP-2322150-A2 Method of identifying GLP-1 secretagogues Arena Pharmaceuticals, Inc. (US) 2011-05-18 EP disclosed
EP-2322152-A1 Method of preparing a composition comprising a GPR119 agonist Arena Pharmaceuticals, Inc. (US) 2011-05-18 EP disclosed
EP-2322157-A1 Composition for the treatment of diabetes and conditions related thereto and for the treatment of conditions ameliorated by increasing a blood GLP-1 level Arena Pharmaceuticals, Inc. (US) 2011-05-18 EP disclosed
EP-2322151-A2 Sustained release formulation comprising a GPR119 agonist and a DPP-IV inhibitor Arena Pharmaceuticals, Inc. (US) 2011-05-18 EP disclosed
EP-2004157-B1 USE OF GPR119 RECEPTOR AGONISTS FOR INCREASING BONE MASS AND FOR TREATING OSTEOPOROSIS, AS WELL AS COMBINATION THERAPY RELATING THERETO ARENA PHARM INC (US) 2011-01-12 EP disclosed
EP-2253311-A2 Use of GPR119 receptor agonists for increasing bone mass and for treating osteoporosis, as well as combination therapy relating thereto Arena Pharmaceuticals, Inc. (US) 2010-11-24 EP disclosed
EP-2116235-A1 Combination therapy for the treatment of diabetes and conditions related thereto and for the treatment of conditions ameliorated by increasing a blood GLP-1 level Arena Pharmaceuticals, Inc. (US) 2009-11-11 EP disclosed
EP-1808168-B1 Combination therapy for the treatment of diabetes and conditions related thereto and for the treatment of conditions ameliorated by increasing a blood GLP-1 level ARENA PHARM INC (US) 2009-06-03 EP disclosed
EP-1997484-A2 Method of identifying GLP-1 secretagogues Arena Pharmaceuticals, Inc. (US) 2008-12-03 EP disclosed
US-7192952-B2 Heterocyclic compounds that are inhibitors of the enzyme DPP-IV NOVO NORDISK, A/S (DK) 2007-03-20 US disclosed
US-7192952-B2 Heterocyclic compounds that are inhibitors of the enzyme DPP-IV NOVO NORDISK, A/S (DK) 2007-03-20 US disclosed
US-20050148606-A1 Heterocyclic compounds that are inhibitors of the enzyme DPP-IV KANSTRUP ANDERS B (DK) 2005-07-07 US disclosed
US-6869947-B2 Heterocyclic compounds that are inhibitors of the enzyme DPP-IV NOVO NORDISK A/S (DK) 2005-03-22 US disclosed
WO-2004033455-A2 HEMISUCCINATE SALTS OF HETEROCYCLIC DPP-IV INHIBITORS NOVO NORDISK A/S (DK) 2004-04-22 WO disclosed
WO-2004033455-A2 HEMISUCCINATE SALTS OF HETEROCYCLIC DPP-IV INHIBITORS NOVO NORDISK A/S (DK) 2004-04-22 WO disclosed
EP-1404675-A1 DPP-IV-INHIBITING PURINE DERIVATIVES FOR THE TREATMENT OF DIABETES NOVO NORDISK A/S (DK) 2004-04-07 EP disclosed
US-20030105077-A1 Heterocyclic compounds that are inhibitors of the enzyme DPP-IV NOVO NORDISK A/S (DK) 2003-06-05 US disclosed
WO-2003004496-A1 DPP-IV-INHIBITING PURINE DERIVATIVES FOR THE TREATMENT OF DIABETES NOVO NORDISK A/S (DK) 2003-01-16 WO disclosed
WO-2003004496-A1 DPP-IV-INHIBITING PURINE DERIVATIVES FOR THE TREATMENT OF DIABETES NOVO NORDISK A/S (DK) 2003-01-16 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 (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-20050148606-A1 Heterocyclic compounds that are inhibitors of the enzyme DPP-IV DPP4, DPP7, DPP3 TSHR 3409/4885ALDH1A1 176/4885HSD17B10 143/4885
US-20030105077-A1 Heterocyclic compounds that are inhibitors of the enzyme DPP-IV DPP4, DPP7, DPP3 TSHR 3634/4885ALDH1A1 55/4885HSD17B10 156/4885

“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.