SCHEMBL6646153

SCHEMBL6646153

CCOC(=O)C(CCc1ccncc1)C(=O)OCC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 3/20 0.47
POLB P06746 1/20 0.47
TDP1 Q9NUW8 3/20 0.45
KMT2A Q03164 3/20 0.45
MEN1 O00255 2/20 0.45
CYP19A1 P11511 1/20 0.45
LMNA P02545 2/20 0.44
ALDH1A1 P00352 1/20 0.44
MAPK1 P28482 3/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
TSHR P16473 1/20 0.43
CDC7 O00311 3/20 0.42
DBF4 Q9UBU7 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
MMP12 P39900 1/20 0.41
MMP13 P45452 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
MMP8 P22894 1/20 0.41
MAPT P10636 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
Hydrochloric Acid SCHEMBL7205435 0.98 NAMPT (0.46) NAMPTPOLBTDP1KMT2AMEN1
SCHEMBL742552 0.90 TDP1 (0.50) NAMPTPOLBTDP1KMT2AMEN1
SCHEMBL29681728 0.88 TDP1 (0.51) POLBTDP1KMT2AMEN1ALDH1A1
SCHEMBL7995201 0.85 CYP19A1 (0.46) NAMPTPOLBCYP19A1LMNAALDH1A1
SCHEMBL935980 0.83 TDP1 (0.59) TDP1KMT2AMEN1ALDH1A1MAPK1
SCHEMBL2672559 0.83 MMP8 (0.54) NAMPTKMT2ACYP19A1ALDH1A1L3MBTL1
SCHEMBL11276809 0.83 MEN1 (0.59) POLBTDP1KMT2AMEN1LMNA
SCHEMBL8633006 0.81 TDP1 (0.47) TDP1KMT2AMAPK1L3MBTL1TSHR
SCHEMBL10757869 0.81 CYP4F2 (0.60) POLBTDP1KMT2AMEN1ALDH1A1
SCHEMBL10755378 0.81 CYP4F2 (0.47) POLBTDP1KMT2AMEN1ALDH1A1

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
EP-1236725-B1 NOVEL 1,8-NAPHTHYRIDIN-2(1H)-ONE DERIVATIVES GRELAN PHARMACEUTICAL CO (JP) 2004-03-10 EP disclosed
US-6642250-B2 As phosphodiesterase inhibitor for prophylaxis and therapy of bronchial asthma; pneumonic diseases, pulmonary emphysema, chronic obstructive pulmonary disease acute respiratory distress syndrome (ARDS), and other respiratory diseases GRELAN PHARMACEUTICAL CO., LTD. (JP) 2003-11-04 US disclosed
EP-0882712-B1 PROCESS FOR PREPARING ACID SALTS OF GAMMA-(PIPERIDYL)BUTYRIC ACID KOEI CHEMICAL CO (JP) 2003-04-23 EP disclosed
US-20030036651-A1 Novel 1,8-naphthyridin-2(1h)-one derivatives GRELAN PHARMACEUTICAL CO., LTD. (JP) 2003-02-20 US disclosed
EP-1030831-A4 PROCESS FOR THE PREPARATION OF AZACYCLOALKYLALKANOYL PSEUDOTETRAPEPTIDES AVENTIS PHARM PROD INC (US) 2003-01-02 EP disclosed
EP-1236725-A1 NOVEL 1,8-NAPHTHYRIDIN-2(1H)-ONE DERIVATIVES Grelan Pharmaceutical Co., Ltd. (JP) 2002-09-04 EP disclosed
EP-0694546-B1 Substituted dibenzoxazepine compounds, pharmaceutical compositions and use SEARLE & CO (US) 2001-06-06 EP disclosed
US-6197961-B1 HYDROGENATION OF G-(PYRIDYL)BUTYRIC ACID SALT IN SOLVENT USING PALLADIUM, RHODIUM, OR RUTHENIUM CATALYST; HYDROLYSIS, DECARBOXYLATION KOEI CHEMICAL CO., LTD. (JP) 2001-03-06 US disclosed
US-6180759-B1 PREPARING AZACYCLOALKANOYLPSEUDOTETRAPEPTIDES COMPRISING COUPLING A DIPEPTIDE WITH A PSEUDODIPEPTIDE; FOR EXAMPLE, N-(N-ETHYL-N-(1-OXO-4-(4-PIPERIDINYL)BUTYL)GLYCYL)-(L)-ALPHA-ASPARTYL-3 -CYCLOHEXYL-(L)-ALANINEAMIDE; USE AS ANTICOAGULANTS AVENTIS PHARMACEUTICALS PRODUCTS INC. 2001-01-30 US disclosed
EP-1030831-A1 PROCESS FOR THE PREPARATION OF AZACYCLOALKYLALKANOYL PSEUDOTETRAPEPTIDES Aventis Pharmaceuticals Products Inc. (US) 2000-08-30 EP disclosed
EP-0667850-B1 TARTRONIC ACIDS, THEIR ACETALIC ETHERS AND O-ESTERS DOMPE FARMACEUTICI SPA (IT) 1997-05-28 EP disclosed
US-5576315-A Substituted dibenzoxazepine compounds and methods for treating osteoporosis and ischemia G.D. SEARLE & CO. (US) 1996-11-19 US disclosed
EP-0694545-A2 Substituted dibenzoxazepine compounds, pharmaceutical compositions and methods of use G.D. SEARLE & CO. (US) 1996-01-31 EP disclosed
EP-0694546-A2 Substituted dibenzoxazepine compounds, pharmaceutical compositions and methods of use G.D. SEARLE & CO. (US) 1996-01-31 EP disclosed
US-5464830-A ANALGESICS G. D. SEARLE & CO. (US) 1995-11-07 US disclosed
EP-0667850-A1 TARTRONIC ACIDS, THEIR ACETALIC ETHERS AND O-ESTERS. DOMPE FARMACEUTICI SPA (IT) 1995-08-23 EP disclosed
US-5378840-A Substituted dibenzoxazepine compounds G. D. SEARLE & CO. (US) 1995-01-03 US disclosed
WO-1994010127-A1 TARTRONIC ACIDS, THEIR ACETALIC ETHERS AND O-ESTERS DOMPE' FARMACEUTICI S.P.A. (IT) 1994-05-11 WO disclosed
WO-1992019617-A2 SUBSTITUTED DIBENZOXAZEPINE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE G.D. SEARLE & CO. (US) 1992-11-12 WO disclosed
EP-0512400-A1 Substituted dibenzoxazepine compounds, pharmaceutical compositions and methods of use G.D. Searle & Co. (US) 1992-11-11 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-20030036651-A1 Novel 1,8-naphthyridin-2(1h)-one derivatives PDE3B, PDE4A, PDE4B NAMPT 1018/4885POLB 691/4885TDP1 450/4885

“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.