SCHEMBL294582

SCHEMBL294582

NCC1(c2ccccc2)CCCC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 3/20 1.00
MAOA P21397 1/20 0.83
MAOB P27338 1/20 0.83
TAAR1 Q96RJ0 1/20 0.83
SLC6A3 Q01959 10/20 0.75
SLC6A4 P31645 10/20 0.75
SLC6A2 P23975 5/20 0.75

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
SCHEMBL294761 0.98 DPP4 (0.96) DPP4MAOAMAOBTAAR1SLC6A3
Hydrochloric Acid SCHEMBL6809143 0.98 DPP4 (0.96) DPP4MAOAMAOBTAAR1SLC6A3
Hydrochloric Acid SCHEMBL3520274 0.96 DPP4 (0.92) DPP4MAOAMAOBTAAR1SLC6A3
SCHEMBL294970 0.95 DPP4 (0.91) DPP4MAOAMAOBTAAR1SLC6A3
Water SCHEMBL7260926 0.93 DPP4 (0.88) DPP4MAOAMAOBTAAR1SLC6A3
Hydrochloric Acid SCHEMBL6809124 0.93 DPP4 (0.88) DPP4MAOAMAOBTAAR1SLC6A3
SCHEMBL1492704 0.91 MAOB (1.00) DPP4MAOAMAOBTAAR1SLC6A3
Hydrochloric Acid SCHEMBL6813615 0.88 MAOB (0.95) DPP4MAOAMAOBTAAR1SLC6A3
SCHEMBL3516310 0.86 SLC6A3 (1.00) DPP4MAOAMAOBTAAR1SLC6A3
Carbamic Acid SCHEMBL10009301 0.86 DPP4 (0.75) DPP4MAOAMAOBTAAR1SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2475644-B1 HSL INHIBITORS USEFUL IN THE TREATMENT OF DIABETES HOFFMANN LA ROCHE (CH) 2014-01-08 EP claimed
US-8258158-B2 HSL inhibitors useful in the treatment of diabetes HOFFMANN-LA ROCHE INC. (US) 2012-09-04 US claimed
EP-2475644-A1 HSL INHIBITORS USEFUL IN THE TREATMENT OF DIABETES F. Hoffmann-La Roche AG (CH) 2012-07-18 EP claimed
WO-2011029808-A1 HSL INHIBITORS USEFUL IN THE TREATMENT OF DIABETES F. HOFFMANN-LA ROCHE AG (CH) 2011-03-17 WO claimed
US-20110065703-A1 NOVEL AGENTS OF CALCIUM ION CHANNEL MODULATORS VM THERAPEUTICS LLC 2011-03-17 US claimed
US-20110065707-A1 NEW HSL INHIBITORS USEFUL IN THE TREATMENT OF DIABETES HOFFMANN-LA ROCHE, INC. 2011-03-17 US claimed
EP-2073799-A2 NOVEL AGENTS OF CALCIUM ION CHANNEL MODULATORS VM Discovery, Inc. (US) 2009-07-01 EP claimed
WO-2008112715-A2 NOVEL AGENTS OF CALCIUM ION CHANNEL MODULATORS VM DISCOVERY INC. (US) 2008-09-18 WO claimed
US-20030018045-A1 Heterocyclic beta-3 adrenergic receptor agonists WYETH (US) 2003-01-23 US claimed
US-6451814-B1 SUBSTITUTED 4-((4-AMINO-5-HYDROXYPHENYL)-OXY-)PIPERIDINE ANALOGS; METABOLIC DISORDERS; ANTIDIABETIC AGENTS; ATHERO-SCLEROSIS, GASTROINTESTINAL DISORDERS, GLAUCOMA, NEUROGENETIC INFLAMMATION, OCULAR HYPERTENSION AND FREQUENT URINATION WYETH 2002-09-17 US claimed
US-20020028832-A1 Heterocyclic beta-3 adrenergic receptor agonists AMERICAN HOME PRODUCTS CORPORATION (US) 2002-03-07 US claimed
WO-2002006229-A2 HETEROCYCLIC BETA-3 ADRENERGIC RECEPTOR AGONISTS WYETH (US) 2002-01-24 WO claimed
US-20220396567-A1 SUBSTITUTED PYRIMIDINE FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION HOFFMANN-LA ROCHE INC. (US) 2022-12-15 US disclosed
US-11446398-B2 Regulated biocircuit systems OBSIDIAN THERAPEUTICS, INC. (US) 2022-09-20 US disclosed
EP-4038065-A1 SUBSTITUTED PYRIMIDINE FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION F. Hoffmann-La Roche AG (CH) 2022-08-10 EP disclosed
US-20220204423-A1 CASHEW NUT SHELL LIQUID BASED SUBSTITUTED CYCLOHEXENE DERIVATIVES AND USES THEREOF CARDOLITE CORPORATION 2022-06-30 US disclosed
US-4755594-A N6 -substituted adenosines WARNER-LAMBERT COMPANY (US) 1988-07-05 US disclosed
EP-0232813-A2 N6-substituted Adenosines WARNER-LAMBERT COMPANY (US) 1987-08-19 EP disclosed
EP-0010401-B1 NOVEL (1-SUBSTITUTED) CYCLOALKYLMETHYL-ISOTHIOCYANATES, A PROCESS FOR THEIR PREPARATION, COMPOSITIONS COMPRISING THEM, AND THEIR USE AS PESTICIDES JANSSEN PHARMACEUTICA N.V. (BE) 1982-05-05 EP disclosed
US-4216217-A FUNGICIDES, INSECTICIDES, BACTERICIDES JANSSEN PHARMACEUTICA N.V. (BE) 1980-08-05 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 (6 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-20030018045-A1 Heterocyclic beta-3 adrenergic receptor agonists ADRB2, ADRB1, ADRB3 DPP4 1536/4885MAOA 1184/4885MAOB 518/4885
US-20110065703-A1 NOVEL AGENTS OF CALCIUM ION CHANNEL MODULATORS CACNA1G, CACNA1C, CACNA1B DPP4 2807/4885MAOA 2812/4885MAOB 3262/4885
US-20220396567-A1 SUBSTITUTED PYRIMIDINE FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION TYMP, HPRT1, DPYD DPP4 1372/4885MAOA 2368/4885MAOB 470/4885
US-20220204423-A1 CASHEW NUT SHELL LIQUID BASED SUBSTITUTED CYCLOHEXENE DERIVATIVES AND USES THEREOF HTR3D, DNER, TAS1R3 DPP4 1369/4885MAOA 1920/4885MAOB 2420/4885
US-20110065707-A1 NEW HSL INHIBITORS USEFUL IN THE TREATMENT OF DIABETES LIPE, PNLIP, LPL DPP4 152/4885MAOA 1717/4885MAOB 1853/4885
US-20020028832-A1 Heterocyclic beta-3 adrenergic receptor agonists ADRB1, ADRB3, ADRB2 DPP4 1890/4885MAOA 1105/4885MAOB 646/4885

“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.