SCHEMBL3535518

SCHEMBL3535518

CNCc1ccc2c(c1)OC(C)(C)C[CH]2

nearest known ligand 0.33

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C19 P33261 1/20 0.33
HTT P42858 1/20 0.33
KDM1A O60341 1/20 0.32
MAOA P21397 1/20 0.32
MAOB P27338 1/20 0.32
NCF1 P14598 1/20 0.32
LOXL2 Q9Y4K0 1/20 0.32
PRMT6 Q96LA8 2/20 0.31
HTR7 P34969 2/20 0.31
KDM4E B2RXH2 3/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
MAPT P10636 1/20 0.31
ALDH1A1 P00352 1/20 0.30
HPGD P15428 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
SCHEMBL7293318 0.72 HTR2C (0.42) HTTMAOBKDM4ESMN1; SMN2MAPT
SCHEMBL14930304 0.72 HTR2A (0.45) CYP3A4CYP2D6CYP2C19HTTKDM1A
SCHEMBL9583946 0.69 DAO (0.33)
SCHEMBL1707125 0.68 MEN1 (0.40) MEN1KMT2AMAPT
SCHEMBL22517184 0.67 ALDH1A1 (0.37) CYP3A4CYP2D6CYP2C19HTTKDM1A
SCHEMBL3669352 0.66 PDE2A (0.41) CYP2D6HTTLOXL2
SCHEMBL1253621 0.65 ALDH1A1 (0.51) CYP2D6KDM1AMAOAMAOBKDM4E
SCHEMBL1254037 0.65 ALDH1A1 (0.62) CYP2D6KDM4ESMN1; SMN2MEN1KMT2A
SCHEMBL14930293 0.65 HIF1A (0.61)
SCHEMBL16504242 0.64 LOXL2 (0.37) CYP3A4NCF1LOXL2PRMT6HTR7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7662811-B2 N-(((5R)-5-((1-methylethyl)amino)-5,6,7,8-tetrahydro-2-naphthalenyl)methyl)-2-((2R)-1-((4-methylphenyl)sulfonyl)-3-oxo-1,2,3,4-tetrahydro-2-pyrazinyl)acetamide; for treatment of pain and diseases, such as inflammation mediated diseases AMGEN INC. (US) 2010-02-16 US disclosed
US-7612060-B2 Triazoles and methods of use AMGEN INC. (US) 2009-11-03 US disclosed
US-20090054460-A1 Piperazine derivatives and methods of use CHEN JIAN J 2009-02-26 US disclosed
US-20090048224-A1 COMPOUNDS AND METHODS OF USE AMGEN, INC. (US) 2009-02-19 US disclosed
US-7425631-B2 Compounds and methods of use AMGEN INC. (US) 2008-09-16 US disclosed
US-7393852-B2 Piperazine derivatives and methods of use AMGEN INC. (US) 2008-07-01 US disclosed
EP-1878728-A2 Derivatives of piperazine and higher homologues thereof for the treatment of inflammation-related disorders Amgen Inc. (US) 2008-01-16 EP disclosed
US-7199244-B2 Cyclic amine derivatives and methods of use AMGEN (US) 2007-04-03 US disclosed
US-20060100213-A1 Triazoles and methods of use AMGEN INC. (US) 2006-05-11 US disclosed
EP-1631542-A1 BICYCLIC COMPOUNDS HAVING BRADYKININ RECEPTORS AFFINITY AND PHARMACEUTICAL COMPOSITIONS THEREOF Amgen, Inc. (US) 2006-03-08 EP disclosed
US-20060025400-A1 1,2,3,4-Tetrahydropyrazin-2-yl acetamides and methods of use AMGEN INC. 2006-02-02 US disclosed
US-20050234044-A1 Cyclic amine derivatives and methods of use AMGEN INC. 2005-10-20 US disclosed
US-20050124654-A1 Compounds and methods of use AMGEN INC. 2005-06-09 US disclosed
US-20050014749-A1 analgesics; antiinflammatory agents; antiarthritic agents;Alzheimer's disease; cirrhosis; antiallergens; antihistamines ; anticancer agents; vision defects AMGEN INC. 2005-01-20 US disclosed
WO-2004092116-A1 BICYCLIC COMPOUNDS HAVING BRADYKININ RECEPTORS AFFINITY AND PHARMACEUTICAL COMPOSITIONS THEREOF AMGEN, INC. (US) 2004-10-28 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 (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-20050124654-A1 Compounds and methods of use LTC4S, PTGES, LTB4R2 CYP3A4 70/4885CYP2D6 48/4885CYP2C19 60/4885
US-20090048224-A1 COMPOUNDS AND METHODS OF USE LTC4S, PTGES, LTB4R2 CYP3A4 70/4885CYP2D6 48/4885CYP2C19 60/4885
US-20060100213-A1 Triazoles and methods of use CYP3A5, CYP3A43, CYP2E1 CYP3A4 5/4885CYP2D6 35/4885CYP2C19 7/4885
US-20060025400-A1 1,2,3,4-Tetrahydropyrazin-2-yl acetamides and methods of use AADAC, PTGES2, LTC4S CYP3A4 144/4885CYP2D6 195/4885CYP2C19 202/4885
US-20090054460-A1 Piperazine derivatives and methods of use PTGES, PTGES2, PTGIS CYP3A4 105/4885CYP2D6 128/4885CYP2C19 67/4885
US-20050234044-A1 Cyclic amine derivatives and methods of use PTGIS, BDKRB2, LTC4S CYP3A4 322/4885CYP2D6 261/4885CYP2C19 80/4885
US-20050014749-A1 analgesics; antiinflammatory agents; antiarthritic agents;Alzheimer's disease; cirrhosis; antiallergens; antihistamines ; anticancer agents; vision defects ACHE, TNF, BCHE CYP3A4 195/4885CYP2D6 221/4885CYP2C19 551/4885

“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.