SCHEMBL11114870

SCHEMBL11114870

O=C1CCC(=O)N1CC(O)COc1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.60
KDM4E B2RXH2 2/20 0.59
TSHR P16473 3/20 0.57
CYP2D6 P10635 1/20 0.57
HIF1A Q16665 1/20 0.57
KMT2A Q03164 3/20 0.55
LMNA P02545 1/20 0.54
MAPT P10636 1/20 0.54
RECQL P46063 1/20 0.54
MEN1 O00255 2/20 0.52
DRD4 P21917 4/20 0.51
DRD2 P14416 3/20 0.51
DRD3 P35462 3/20 0.51
ALDH1A1 P00352 1/20 0.49
HTT P42858 1/20 0.49
MAPK1 P28482 1/20 0.49
PRMT5 O14744 1/20 0.49
WDR77 Q9BQA1 1/20 0.49

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
SCHEMBL11665859 0.80 ALDH1A1 (0.56) TSHRKMT2ALMNAMAPTMEN1
SCHEMBL15486035 0.79 L3MBTL1 (0.57) L3MBTL1KDM4ETSHRCYP2D6HIF1A
SCHEMBL14064868 0.79 LMNA (0.67) L3MBTL1KDM4ETSHRCYP2D6HIF1A
SCHEMBL4577971 0.77 L3MBTL1 (0.97) L3MBTL1KDM4ETSHRCYP2D6HIF1A
SCHEMBL3970369 0.77 L3MBTL1 (0.97) L3MBTL1KDM4ETSHRCYP2D6HIF1A
SCHEMBL11240406 0.77 L3MBTL1 (0.97) L3MBTL1KDM4ETSHRCYP2D6HIF1A
SCHEMBL267463 0.75 LMNA (0.68) L3MBTL1KDM4ETSHRCYP2D6HIF1A
SCHEMBL15105717 0.75 ALDH1A1 (0.42) L3MBTL1KDM4ETSHRCYP2D6HIF1A
SCHEMBL9770539 0.74 ALOX12 (0.54) TSHRKMT2ALMNAMAPTMEN1
SCHEMBL25010831 0.74 KDM4E (1.00) L3MBTL1KDM4ETSHRCYP2D6HIF1A

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105102428-B Novel DPP-IV inhibitors DNJ制药有限公司 2018-11-16 CN disclosed
EP-2945930-B1 NOVEL DDP-IV INHIBITORS DNJ PHARMA INC (US) 2018-10-10 EP disclosed
EP-2945930-A1 NOVEL DDP-IV INHIBITORS DNJ Pharma Inc. (US) 2015-11-25 EP disclosed
US-9115082-B2 Dipeptidyl-peptidase-IV inhibitors for treatment of type 2 diabetes complex with hypertension YANG CATHERINE (US) 2015-08-25 US disclosed
WO-2014113750-A1 NOVEL DDP-IV INHIBITORS DNJ PHARMA, INC. (US) 2014-07-24 WO disclosed
US-20130184322-A1 NOVEL DIPEPTIDYL-PEPTIDASE-IV INHIBITORS LI WEIXING (US) 2013-07-18 US disclosed
US-4450173-A BRIEF ACTING B-ADRENERGIC BLOCKING AGENTS; BIOLOGICAL INJECTIONS; ANTIARRYHYTHMIA AGENTS AMERICAN HOSPITAL SUPPLY CORPORATION (US) 1984-05-22 US disclosed
EP-0065963-A4 COMPOUNDS AND METHOD FOR TREATMENT OR PROPHYLAXIS OF CARDIAC DISORDERS. AMERICAN HOSPITAL SUPPLY CORP (US) 1983-04-25 EP disclosed
EP-0065963-A1 COMPOUNDS AND METHOD FOR TREATMENT OR PROPHYLAXIS OF CARDIAC DISORDERS. AMERICAN HOSPITAL SUPPLY CORP (US) 1982-12-08 EP disclosed
WO-1982001870-A1 COMPOUNDS AND METHOD FOR TREATMENT OR PROPHYLAXIS OF CARDIAC DISORDERS AMERICAN HOSPITAL SUPPLY CORP (US) 1982-06-10 WO disclosed
EP-0053434-A1 Compounds and method for treatment or prophylaxis of cardiac disorders AMERICAN HOSPITAL SUPPLY CORPORATION (US) 1982-06-09 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 (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-20130184322-A1 NOVEL DIPEPTIDYL-PEPTIDASE-IV INHIBITORS DPP4, DPP7, DPP3 L3MBTL1 2131/4885KDM4E 1265/4885TSHR 2494/4885

“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.