SCHEMBL77070

SCHEMBL77070

CC(N)C(N)c1ccccc1

nearest known ligand 0.68

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 2/20 0.68
ADRA2A P08913 1/20 0.58
ADRA2C P18825 1/20 0.58
LMNA P02545 1/20 0.58
HIF1A Q16665 1/20 0.58
KDM4E B2RXH2 1/20 0.58
ALDH1A1 P00352 1/20 0.56
F2 P00734 1/20 0.52
TAAR1 Q96RJ0 4/20 0.48
CYP2D6 P10635 1/20 0.44
AOC3 Q16853 1/20 0.43
MAOA P21397 1/20 0.42
SLC6A2 P23975 1/20 0.42
SLC6A4 P31645 1/20 0.42
SLC6A3 Q01959 1/20 0.42

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
SCHEMBL27291145 1.00 DPP4 (0.68) DPP4ADRA2AADRA2CLMNAHIF1A
SCHEMBL16363070 1.00 DPP4 (0.68) DPP4ADRA2AADRA2CLMNAHIF1A
SCHEMBL3367415 1.00 DPP4 (0.68) DPP4ADRA2AADRA2CLMNAHIF1A
SCHEMBL10038033 1.00 DPP4 (0.68) DPP4ADRA2AADRA2CLMNAHIF1A
Hydrochloric Acid SCHEMBL28223198 0.97 DPP4 (0.65) DPP4ADRA2AADRA2CLMNAHIF1A
SCHEMBL10506371 0.83 DPP4 (0.68) DPP4ADRA2AADRA2CLMNAHIF1A
SCHEMBL522687 0.83 DPP4 (0.68) DPP4ADRA2AADRA2CLMNAHIF1A
SCHEMBL7286165 0.83 DPP4 (0.68) DPP4ADRA2AADRA2CLMNAHIF1A
SCHEMBL1980156 0.83 DPP4 (0.68) DPP4ADRA2AADRA2CLMNAHIF1A
SCHEMBL851654 0.82 DPP4 (1.00) DPP4ADRA2AADRA2CLMNAHIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3064530-B1 XYLYLENE DIAMINE COMPOSITION, AND METHOD FOR PRODUCING POLYAMIDE RESIN MITSUBISHI GAS CHEMICAL CO (JP) 2018-09-05 EP claimed
US-9637594-B2 Xylylene diamine composition, and method for producing polyamide resin MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2017-05-02 US claimed
US-20160304671-A1 XYLYLENE DIAMINE COMPOSITION, AND METHOD FOR PRODUCING POLYAMIDE RESIN MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2016-10-20 US claimed
EP-3064530-A1 XYLYLENE DIAMINE COMPOSITION, AND METHOD FOR PRODUCING POLYAMIDE RESIN Mitsubishi Gas Chemical Company, Inc. (JP) 2016-09-07 EP claimed
EP-3551626-B1 BENZENESULFONAMIDE COMPOUNDS AND THEIR USE AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC (CA) 2023-10-25 EP disclosed
EP-3239137-B1 (5R)-4,5-DIHYDRO-ISOXAZOLE DERIVATIVES AS WELL AS 1-(2-CHLOROACETYL)-4-PIPERIDINE-CARBONITRILE AND -CARBOXAMIDE DERIVATIVES AS INTERMEDIATES IN THE PREPARATION OF E.G. 4-[4-[(5R)-4,5-DIHYDRO-ISOXAZOL-3-YL]-THIAZOL-2-YL]-PIPERIDINE DERIVATIVES AS FUNGICIDES FOR CROP PROTECTION DU PONT (US) 2019-02-13 EP disclosed
EP-3064530-B1 XYLYLENE DIAMINE COMPOSITION, AND METHOD FOR PRODUCING POLYAMIDE RESIN MITSUBISHI GAS CHEMICAL CO (JP) 2018-09-05 EP disclosed
CN-104053661-B The thienopyrimidines inhibitor of atypical protein kinase C 癌症研究技术有限公司 2018-06-19 CN disclosed
US-9920030-B2 Fungicidal azocyclic amides E I DU PONT DE NEMOURS AND COMPANY (US) 2018-03-20 US disclosed
CN-107698748-A A kind of dynamic aggregation thing of hybrid cross-linked network and its application 翁秋梅 2018-02-16 CN disclosed
EP-3239145-A1 1-[2-[3,5-SUBSTITUTED-1H-PYRAZOL-1-YL]ACETYL]-4-PIPERIDINE-CARBONITRILE AND -CARBOTHIAMIDE DERIVATIVES AS INTERMEDIATES IN THE PREPARATION OF FUNGICIDES FOR CROP PROTECTION E. I. du Pont de Nemours and Company (US) 2017-11-01 EP disclosed
EP-3239137-A1 (5R)-4,5-DIHYDRO-ISOXAZOLE DERIVATIVES AS WELL AS 1-(2-CHLOROACETYL)-4-PIPERIDINE-CARBONITRILE AND -CARBOXAMIDE DERIVATIVES AS INTERMEDIATES IN THE PREPARATION OF E.G. 4-[4-[(5R)-4,5-DIHYDRO-ISOXAZOL-3-YL]-THIAZOL-2-YL]-PIPERIDINE DERIVATIVES AS FUNGICIDES FOR CROP PROTECTION E. I. du Pont de Nemours and Company (US) 2017-11-01 EP disclosed
US-20020037907-A1 Substituted 2- (S) -hydroxy-3- (piperidin-4-yl-methylamino) -propyl ethers and substituted 2-aryl-2- (R) - hydroxy-1- (piperidin-4-yl-methyl) -ethylamine beta-3 adrenergic receptor agonists AMERICAN HOME PRODUCTS CORPORATION (US) 2002-03-28 US disclosed
WO-2002006255-A2 HYDROXY-(PIPERIDIN-4-YL-METHYLAMINO)-ALKYL BETA-3 ADRENERGIC RECEPTOR ANTAGONISTS WYETH (US) 2002-01-24 WO disclosed
WO-2001046157-A1 BENZO[A]PHENAZIN-11-CARBOXAMIDE DERIVATIVES AND THEIR USE AS JOINT INHIBITORS OF TOPOMERASE I AND II XENOVA LIMITED (GB) 2001-06-28 WO disclosed
US-4289885-A 3-[2-(Dimethylamino)-2-phenylethyl]N-[phenylamino)carbonyl]sydnone imine, a new central nervous system stimulant AMERICAN HOME PRODUCTS CORPORATION (US) 1981-09-15 US disclosed
US-4284775-A 1,4-Diazabicyclooctane di-N,N'-quaternized compounds THE UPJOHN COMPANY (US) 1981-08-18 US disclosed
US-4216322-A Process for making triethylene diamines THE UPJOHN COMPANY (US) 1980-08-05 US disclosed
US-4193905-A Curable epoxide resin mixtures containing diaminopropanes CIBA-GEIGY CORPORATION (US) 1980-03-18 US disclosed
US-4143188-A GLYCIDYL COMPOUND CONTAINING AN N-HETEROCYCLIC GROUP HARDENED WITH AN AMINE CIBA-GEIGY CORPORATION (US) 1979-03-06 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 (1 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-20020037907-A1 Substituted 2- (S) -hydroxy-3- (piperidin-4-yl-methylamino) -propyl ethers and substituted 2-aryl-2- (R) - hydroxy-1- (piperidin-4-yl-methyl) -ethylamine beta-3 adrenergic receptor agonists GPR119, ADRB1, ADRB2 DPP4 404/4885ADRA2A 14/4885ADRA2C 7/4885

“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.