SCHEMBL1106509

SCHEMBL1106509

CC(C)C(=O)N1CCCC1C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.46
HPGD P15428 1/20 0.46
DPP4 P27487 9/20 0.43
DPP7 Q9UHL4 8/20 0.43
FAP Q12884 5/20 0.43
DPP8 Q6V1X1 4/20 0.43
PREP P48147 4/20 0.43
DPP9 Q86TI2 3/20 0.43
ACE P12821 5/20 0.41
REN P00797 3/20 0.41
PITRM1 Q5JRX3 1/20 0.41
KDM4E B2RXH2 1/20 0.41
F2 P00734 1/20 0.41
LMNA P02545 1/20 0.41
LTA4H P09960 1/20 0.41
MAPT P10636 1/20 0.41
PEPD P12955 1/20 0.41
ALOX15 P16050 1/20 0.41
PTGS1 P23219 1/20 0.41
HTR2A P28223 1/20 0.41

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
SCHEMBL17323644 1.00 GAA (0.46) GAAHPGDDPP4DPP7FAP
SCHEMBL9927075 1.00 GAA (0.46) GAAHPGDDPP4DPP7FAP
SCHEMBL17323635 0.94 HPGD (0.53) GAAHPGDDPP7LMNAHSD17B10
SCHEMBL17323629 0.94 HPGD (0.53) GAAHPGDDPP7LMNAHSD17B10
SCHEMBL4546663 0.94 HPGD (0.53) GAAHPGDDPP7LMNAHSD17B10
SCHEMBL17323643 0.87 PIK3CD (0.41) GAAHPGDDPP4DPP7FAP
SCHEMBL14656006 0.84 DPP4 (0.62) GAAHPGDDPP4DPP7FAP
SCHEMBL15832327 0.84 GAA (0.43) GAAHPGDDPP4DPP7FAP
SCHEMBL12709881 0.82 DPP4 (0.46) GAAHPGDDPP4DPP7FAP
SCHEMBL13111950 0.81 ACE (0.47) DPP4DPP7FAPDPP8DPP9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020139988-A1 COMPOSITIONS FOR INHIBITING UBIQUITIN SPECIFIC PROTEASE 1 FORMA THERAPEUTICS, INC. (US) 2020-07-02 WO disclosed
WO-2019148005-A1 INHIBITORS OF CBL-B AND METHODS OF USE THEREOF NURIX THERAPEUTICS, INC. (US) 2019-08-01 WO disclosed
US-20170362234-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2017-12-21 US disclosed
US-20170362234-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2017-12-21 US disclosed
US-20170355705-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2017-12-14 US disclosed
US-20170355705-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2017-12-14 US disclosed
US-8377974-B2 Factor Xa inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2013-02-19 US disclosed
US-8377974-B2 Factor Xa inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2013-02-19 US disclosed
US-8268862-B2 Sirtuin modulating compounds SIRTRIS PHARMACEUTICALS, INC. (US) 2012-09-18 US disclosed
US-20120178733-A1 FACTOR XA INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. 2012-07-12 US disclosed
US-20110130387-A1 SIRTUIN MODULATING COMPOUNDS SIRTRIS PHARMACEUTICALS, INC. (US) 2011-06-02 US disclosed
US-20110052674-A1 ANGIOTENSIN II RECEPTOR BLOCKER DERIVATIVES MERCK SHARP & DOHME CORP. (US) 2011-03-03 US disclosed
US-20110009381-A1 SOLUBILIZED THIAZOLOPYRIDINES SIRTIS PHARMACEUTICALS, INC. (US) 2011-01-13 US disclosed
US-20090298806-A1 FACTOR XA INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. 2009-12-03 US disclosed
EP-1553089-B1 ANTAGONIST OF MELANIN-CONCENTRATING HORMONE RECEPTOR COMPRISING BENZIMIDAZOLE DERIVATIVE AS ACTIVE INGREDIENT BANYU PHARMA CO LTD (JP) 2009-09-30 EP disclosed
US-7541477-B2 Antagonists to melanin-concentrating hormone receptor comprising benzimidazole derivative as active ingredient BANYU PHARMACEUTICAL CO., LTD. (JP) 2009-06-02 US disclosed
US-7521470-B2 Factor Xa inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2009-04-21 US disclosed
WO-2006002099-A2 FACTOR XA INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. (US) 2006-01-05 WO disclosed
US-20050222161-A1 Antagonists to melanin-concentrating hormone receptor comprising benzimidazole derivative as active ingredient BANYU PHARMACEUTICAL CO., LTD (JP) 2005-10-06 US disclosed
EP-1553089-A1 ANTAGONIST OF MELANIN-CONCENTRATING HORMONE RECEPTOR COMPRISING BENZIMIDAZOLE DERIVATIVE AS ACTIVE INGREDIENT BANYU PHARMACEUTICAL CO., LTD. (JP) 2005-07-13 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 (8 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-20110130387-A1 SIRTUIN MODULATING COMPOUNDS SIRT1, SIRT3, SIRT2 GAA 1133/4885HPGD 335/4885DPP4 1525/4885
US-20110009381-A1 SOLUBILIZED THIAZOLOPYRIDINES SIRT3, SIRT1, SIRT2 GAA 443/4885HPGD 230/4885DPP4 532/4885
US-20090298806-A1 FACTOR XA INHIBITORS TFPI, F12, F11 GAA 511/4885HPGD 316/4885DPP4 845/4885
US-20170355705-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 GAA 1203/4885HPGD 229/4885DPP4 2284/4885
US-20050222161-A1 Antagonists to melanin-concentrating hormone receptor comprising benzimidazole derivative as active ingredient MC1R, MCHR1, MCHR2 GAA 477/4885HPGD 1166/4885DPP4 2411/4885
US-20120178733-A1 FACTOR XA INHIBITORS TFPI, F12, F11 GAA 511/4885HPGD 316/4885DPP4 845/4885
US-20170362234-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 GAA 1087/4885HPGD 233/4885DPP4 2237/4885
US-20110052674-A1 ANGIOTENSIN II RECEPTOR BLOCKER DERIVATIVES AGTR1, AGTR2, AGT GAA 1775/4885HPGD 442/4885DPP4 382/4885

“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.