SCHEMBL504559

SCHEMBL504559

O=C(OCc1ccccc1)N1CC=CCCC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.56
KMT2A Q03164 1/20 0.56
NPSR1 Q6W5P4 1/20 0.56
SMN1; SMN2 Q16637 3/20 0.55
NPC1 O15118 3/20 0.55
RAB9A P51151 3/20 0.55
CYP2C19 P33261 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.47
GRM5 P41594 1/20 0.46
TMEM97 Q5BJF2 3/20 0.46
SIGMAR1 Q99720 3/20 0.46
PSEN1 P49768 1/20 0.45
PSEN2 P49810 1/20 0.45
APH1B Q8WW43 1/20 0.45
NCSTN Q92542 1/20 0.45
APH1A Q96BI3 1/20 0.45
PSENEN Q9NZ42 1/20 0.45
PDE4B Q07343 1/20 0.45
HTR2C P28335 2/20 0.44
GRIN2B Q13224 2/20 0.44

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
SCHEMBL376817 0.91 MEN1 (0.58) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL2369827 0.87 MEN1 (0.57) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL92054 0.86 KMT2A (0.62) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL504454 0.83 MEN1 (0.68) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL1000788 0.83 MEN1 (0.71) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL5109854 0.83 MEN1 (0.71) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL7424105 0.83 MEN1 (0.71) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL4710641 0.82 MEN1 (0.69) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL794423 0.82 MEN1 (0.69) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL16611411 0.82 MEN1 (0.69) MEN1KMT2ANPSR1SMN1; SMN2NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9981969-B2 Imidazole derivatives and methods of use thereof for improving the pharmacokinetics of a drug MERCK SHARP & DOHME CORP. (US) 2018-05-29 US disclosed
US-9873671-B2 Azepane derivatives and methods of treating hepatitis B infections NOVIRA THERAPEUTICS, INC. (US) 2018-01-23 US disclosed
US-9873671-B2 Azepane derivatives and methods of treating hepatitis B infections NOVIRA THERAPEUTICS, INC. (US) 2018-01-23 US disclosed
US-20170015629-A1 AZEPANE DERIVATIVES AND METHODS OF TREATING HEPATITIS B INFECTIONS NOVIRA THERAPEUTICS, INC. 2017-01-19 US disclosed
US-20170015629-A1 AZEPANE DERIVATIVES AND METHODS OF TREATING HEPATITIS B INFECTIONS NOVIRA THERAPEUTICS, INC. 2017-01-19 US disclosed
US-9505722-B2 Azepane derivatives and methods of treating hepatitis B infections NOVIRA THERAPEUTICS, INC. (US) 2016-11-29 US disclosed
US-9505722-B2 Azepane derivatives and methods of treating hepatitis B infections NOVIRA THERAPEUTICS, INC. (US) 2016-11-29 US disclosed
US-9339510-B2 Azepane derivatives and methods of treating hepatitis B infections NOVIRA THERAPEUTICS, INC. (US) 2016-05-17 US disclosed
US-9339510-B2 Azepane derivatives and methods of treating hepatitis B infections NOVIRA THERAPEUTICS, INC. (US) 2016-05-17 US disclosed
US-20160108048-A1 IMIDAZOLE DERIVATIVES AND METHODS OF USE THEREOF FOR IMPROVING THE PHARMACOKINETICS OF A DRUG MERCK SHARP & DOHME CORP. (US) 2016-04-21 US disclosed
WO-2003026770-A1 METHOD FOR REMOVING METAL FROM THE PRODUCTS OF OLEFIN METATHESIS REACTIONS SMITHKLINE BEECHAM CORPORATION (US) 2003-04-03 WO disclosed
WO-2003024924-A1 NOVEL COMPOUNDS AND COMPOSITIONS AS CATHEPSIN INHIBITORS AVENTIS PHARMACEUTICALS INC. (US) 2003-03-27 WO disclosed
US-6534498-B1 Compound which is an inhibitor of cysteine proteases, particularly cathepsin K, and is useful in the treatment of diseases in which inhibition of bone loss or of cartilage degradation is a factor. SMITHKLINE BEECHAM CORPORATION 2003-03-18 US disclosed
US-20030044399-A1 Method of treatment SMITHKLINE BEECHAM CORPORATION 2003-03-06 US disclosed
US-20020147188-A1 Protease inhibitors SMITHKLINE BEECHAM CORPORATION 2002-10-10 US disclosed
EP-1231923-A1 PROTEASE INHIBITORS SmithKline Beecham Corporation (US) 2002-08-21 EP disclosed
WO-2002051983-A2 NOVEL COMPOUNDS AND COMPOSITIONS AS CATHEPSIN INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2002-07-04 WO disclosed
WO-2001034157-A9 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2002-05-10 WO disclosed
WO-2002017924-A1 METHOD OF TREATMENT SMITHKLINE BEECHAM CORPORATION (GB) 2002-03-07 WO disclosed
WO-2001034157-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2001-05-17 WO 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 (4 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-20030044399-A1 Method of treatment DNPEP, PEPD, ANPEP MEN1 3024/4885KMT2A 1833/4885NPSR1 1684/4885
US-20170015629-A1 AZEPANE DERIVATIVES AND METHODS OF TREATING HEPATITIS B INFECTIONS HAVCR2, HDGF, AZI2 MEN1 3142/4885KMT2A 3876/4885NPSR1 3654/4885
US-20160108048-A1 IMIDAZOLE DERIVATIVES AND METHODS OF USE THEREOF FOR IMPROVING THE PHARMACOKINETICS OF A DRUG CYP3A43, CYP3A4, CYP3A7 MEN1 3863/4885KMT2A 1824/4885NPSR1 1289/4885
US-20020147188-A1 Protease inhibitors CTSK, MMP13, CTSZ MEN1 2054/4885KMT2A 2920/4885NPSR1 3498/4885

“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.