SCHEMBL4692345

SCHEMBL4692345

CC(C)CCCC(C)(C)N

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.42
MEN1 O00255 1/20 0.42
ALOX15 P16050 1/20 0.42
KMT2A Q03164 1/20 0.42
LMNA P02545 1/20 0.39
GRM4 Q14833 1/20 0.37
BLM P54132 1/20 0.33
PTPN2 P17706 1/20 0.32
PTPN1 P18031 1/20 0.32
CDC25B P30305 1/20 0.32
ALDH1A1 P00352 1/20 0.31
CYP1A2 P05177 1/20 0.30
CYP2C9 P11712 1/20 0.30
HIF1A Q16665 1/20 0.30

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
SCHEMBL8367784 0.92 LMNA (0.43) CYP3A4MEN1ALOX15KMT2ALMNA
SCHEMBL27912924 0.83 MEN1 (0.42) CYP3A4MEN1ALOX15KMT2ALMNA
SCHEMBL2499986 0.82
SCHEMBL16076977 0.81 MEN1 (0.45) CYP3A4MEN1ALOX15KMT2ALMNA
SCHEMBL21753834 0.81 OPRM1 (0.46) GRM4ALDH1A1
Ammonia Solution, Strong SCHEMBL10941635 0.80 GRM4 (0.33) CYP3A4MEN1ALOX15KMT2AGRM4
SCHEMBL4751415 0.77 MEN1 (0.34) CYP3A4MEN1ALOX15KMT2AGRM4
SCHEMBL277179 0.77 MEN1 (0.38) CYP3A4MEN1ALOX15KMT2ALMNA
SCHEMBL11381711 0.77 TRPV1 (0.36) GRM4
SCHEMBL8369800 0.77 MEN1 (0.34) CYP3A4MEN1ALOX15KMT2AGRM4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140315790-A1 AMINOTHIAZOLES AND THEIR USES BUSHELL SIMON (US) 2014-10-23 US disclosed
US-20130252883-A1 Macrocycles and Their Uses NOVARTIS AG (CH) 2013-09-26 US disclosed
US-8476224-B2 Macrocycles and their uses NOVARTIS AG (US) 2013-07-02 US disclosed
WO-2011040628-A1 COLORANT MULTIMER, COLORED CURABLE COMPOSITION, COLOR FILTER AND METHOD FOR PRODUCING THE SAME, AND SOLID-STATE IMAGE SENSOR, IMAGE DISPLAY DEVICE, LIQUID CRYSTAL DISPLAY DEVICE AND ORGANIC EL DISPLAY WITH THE COLOR FILTER FUJIFILM CORPORATION (JP) 2011-04-07 WO disclosed
WO-2011018987-A1 DISPLAY DEVICE 住友化学株式会社 (JP) 2011-02-17 WO disclosed
US-7851439-B2 EFTU inhibitors or aminothiazoles and their uses NOVARTIS AG (CH) 2010-12-14 US disclosed
US-20100267757-A1 AMINOTHIAZOLES AND THEIR USES NOVARTIS AG (CH) 2010-10-21 US disclosed
US-20100267757-A1 AMINOTHIAZOLES AND THEIR USES NOVARTIS AG (CH) 2010-10-21 US disclosed
US-20090186830-A1 MACROCYCLES AND THEIR USES NOVARTIS AG (CH) 2009-07-23 US disclosed
EP-1692143-B1 TRICYCLIC INDOLE HYDROXYETHYLAMINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF ALZHEIMER'S DISEASE GLAXO GROUP LTD (GB) 2008-11-12 EP disclosed
US-20060211740-A1 Novel compounds GLAXO GROUP LIMITED 2006-09-21 US disclosed
US-20060025459-A1 Hydroxyethylamine derivatives for the treatment of alzheimer's disease GLAXO GROUP LIMITED (GB) 2006-02-02 US disclosed
EP-1620438-A1 TRICYCLIC INDOLE DERIVATIVES AND THEIR USE IN THE TREATMENT OF ALZHEIMER'S DISEASE GLAXO GROUP LIMITED (GB) 2006-02-01 EP disclosed
US-6919291-B2 Fluorinated zwitterionic cocatalyst activators for olefin polymerization EXXONMOBIL CHEMICAL PATENTS INC. (US) 2005-07-19 US disclosed
WO-2004094430-A1 TRICYCLIC INDOLE DERIVATIVES AND THEIR USE IN THE TREATMENT OF ALZHEIMER’S DISEASE GLAXO GROUP LIMITED (GB) 2004-11-04 WO disclosed
US-20040110631-A1 Fluorinated zwitterionic cocatalyst activators for olefin polymerization EXXONMOBIL CHEMICAL PATENTS INC. 2004-06-10 US disclosed
EP-1349653-A2 FLUORINATED ZWITTERIONIC COCATALYST ACTIVATORS FOR OLEFIN POLYMERIZATION ExxonMobil Chemical Patents Inc. (US) 2003-10-08 EP disclosed
WO-2002036639-A2 FLUORINATED ZWITTERIONIC COCATALYST ACTIVATORS FOR OLEFIN POLYMERIZATION EXXONMOBIL CHEMICAL PATENTS INC. (US) 2002-05-10 WO disclosed
CN-1223254-A Tertiary alkyl primary amines and process for preparing the same ROHM & HAAS (US) 1999-07-21 CN disclosed
EP-0890570-A2 Tertiary alkyl primary amines and process for preparing the same ROHM AND HAAS COMPANY (US) 1999-01-13 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 (7 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-20130252883-A1 Macrocycles and Their Uses MRPL21, CLPP, MLEC CYP3A4 370/4885MEN1 1032/4885ALOX15 2140/4885
US-20100267757-A1 AMINOTHIAZOLES AND THEIR USES ABAT, AADAT, GOT2 CYP3A4 534/4885MEN1 3821/4885ALOX15 1002/4885
US-20090186830-A1 MACROCYCLES AND THEIR USES CYP11B2, OAT, CYP27A1 CYP3A4 325/4885MEN1 947/4885ALOX15 1106/4885
US-20060025459-A1 Hydroxyethylamine derivatives for the treatment of alzheimer's disease BACE2, PSEN2, BACE1 CYP3A4 3657/4885MEN1 586/4885ALOX15 2954/4885
US-20040110631-A1 Fluorinated zwitterionic cocatalyst activators for olefin polymerization FZD7, FOS, COG4 CYP3A4 1344/4885MEN1 1928/4885ALOX15 386/4885
US-20140315790-A1 AMINOTHIAZOLES AND THEIR USES ABAT, AADAT, GOT2 CYP3A4 534/4885MEN1 3821/4885ALOX15 1002/4885
US-20060211740-A1 Novel compounds BACE2, BACE1, PSEN2 CYP3A4 4459/4885MEN1 697/4885ALOX15 3590/4885

“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.