SCHEMBL5831360

SCHEMBL5831360

CC(N)CCc1ccc(C(N)=O)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 7/20 0.55
PLA2G10 O15496 1/20 0.47
PLA2G2A P14555 1/20 0.47
PARP10 Q53GL7 5/20 0.46
HSD17B10 Q99714 1/20 0.44
F2 P00734 2/20 0.43
F10 P00742 2/20 0.43
PRSS1 P07477 1/20 0.43
MEN1 O00255 1/20 0.42
HTT P42858 1/20 0.42
KMT2A Q03164 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
PARP1 P09874 1/20 0.41
PARP2 Q9UGN5 1/20 0.41
PARP4 Q9UKK3 1/20 0.41
CYP4F2 P78329 1/20 0.41
CYP4A11 Q02928 1/20 0.41
CYP17A1 P05093 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
SCHEMBL9787159 1.00 DPP4 (0.55) DPP4PLA2G10PLA2G2APARP10HSD17B10
SCHEMBL9684230 1.00 DPP4 (0.55) DPP4PLA2G10PLA2G2APARP10HSD17B10
Hydrochloric Acid SCHEMBL11467261 0.98 DPP4 (0.54) DPP4PLA2G10PLA2G2APARP10HSD17B10
Hydrochloric Acid SCHEMBL10561063 0.98 DPP4 (0.54) DPP4PLA2G10PLA2G2APARP10HSD17B10
SCHEMBL8293310 0.87 DPP4 (0.56) DPP4PLA2G10PLA2G2APARP10HSD17B10
Ammonia Solution, Strong SCHEMBL11119550 0.85 DPP4 (0.55) DPP4PLA2G10PLA2G2APARP10HSD17B10
SCHEMBL825507 0.85 ALDH1A1 (0.52) DPP4MEN1HTTKMT2ASMN1; SMN2
Hydrochloric Acid SCHEMBL825805 0.84 ALDH1A1 (0.50) DPP4MEN1HTTKMT2ASMN1; SMN2
SCHEMBL9392575 0.81 TAAR1 (0.59) PLA2G10PLA2G2A
SCHEMBL6764390 0.81 TAAR1 (0.59) PLA2G10PLA2G2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7041684-B2 Selective β3 adrenergic agonists ELI LILLY AND COMPANY (US) 2006-05-09 US disclosed
US-20050043337-A1 Selective beta3 adrenergic agonists RITO CHRISTOPHER J (US) 2005-02-24 US disclosed
US-6686372-B2 ANTIDIABETIC AGENTS; DIETETICS ELI LILLY AND COMPANY 2004-02-03 US disclosed
US-20020165234-A1 Selective B3 adrenergic agonists CROWELL THOMAS A (US) 2002-11-07 US disclosed
US-6413991-B1 ANTIDIABETIC AGENTS; DIETETICS ELI LILLY AND COMPANY 2002-07-02 US disclosed
EP-0827746-B1 Carbazole analogues as selective beta3 adrenergic agonists LILLY CO ELI (US) 2002-04-03 EP disclosed
US-6140352-A FOR AGONIZING THE BETA 3 ADRENERGIC RECEPTOR TO TREAT TYPE II DIABETES AND OBESITY ELI LILLY AND COMPANY (US) 2000-10-31 US disclosed
WO-1998009625-A1 SELECTIVE β3 ADRENERGIC AGONISTS ELI LILLY AND COMPANY (US) 1998-03-12 WO disclosed
EP-0827746-A1 Carbazole analogues as selective B3 adrenergic agonists ELI LILLY AND COMPANY (US) 1998-03-11 EP disclosed
US-5166218-A Antilipemic agents or antiglycemic agents HOFFMANN-LA ROCHE INC. (US) 1992-11-24 US disclosed
US-4871755-A Method for treating diabetes obesity and conditions characterized by increased protein breakdown with novel oxazolidines HOFFMANN-LA ROCHE INC. (US) 1989-10-03 US disclosed
US-4845127-A ANTIBESITY ELI LILLY AND COMPANY (US) 1989-07-04 US disclosed
US-4743604-A ANTIBESITY, ANTIDIABETIC, FEEDS HOFFMANN-LA ROCHE INC. (US) 1988-05-10 US disclosed
EP-0104888-B1 PROCESS FOR PREPARING 2-HYDROXY-2-PHENYLETHYLAMINES ELI LILLY AND COMPANY (US) 1986-10-15 EP disclosed
EP-0101069-B1 PHENETHANOL AMINES F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1986-04-23 EP disclosed
EP-0170121-A1 2-Hydroxy-3-aryloxypropyl or 2-hydroxy-2-benzofuranyl ethyl tertiary amine having an anti-hyperglycaemic and/or anti-obesity activity BEECHAM GROUP PLC (GB) 1986-02-05 EP disclosed
EP-0151513-A1 Inotropic agent ELI LILLY AND COMPANY (US) 1985-08-14 EP disclosed
EP-0140243-A2 Phenoxypropanol amines F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1985-05-08 EP disclosed
EP-0104888-A1 Process for preparing 2-hydroxy-2-phenylethylamines ELI LILLY AND COMPANY (US) 1984-04-04 EP disclosed
EP-0101069-A1 Phenethanol amines F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1984-02-22 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 (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-20050043337-A1 Selective beta3 adrenergic agonists ADRB3, ADRB2, ADRB1 DPP4 577/4885PLA2G10 3450/4885PLA2G2A 2857/4885
US-20020165234-A1 Selective B3 adrenergic agonists ADRB3, ADRB2, ADRB1 DPP4 344/4885PLA2G10 2475/4885PLA2G2A 1815/4885

“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.