SCHEMBL3319764

SCHEMBL3319764

CCN(CCO)CCNC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.47
CYP2C9 P11712 2/20 0.47
MAPK1 P28482 2/20 0.47
HPGD P15428 1/20 0.47
HIF1A Q16665 1/20 0.47
HSD17B10 Q99714 1/20 0.47
PRMT3 O60678 1/20 0.40
CARM1 Q86X55 1/20 0.40
PRMT6 Q96LA8 1/20 0.40
PRMT1 Q99873 1/20 0.40
PRMT8 Q9NR22 1/20 0.40
CDK1 P06493 1/20 0.33
CYP2D6 P10635 1/20 0.33
PAOX Q6QHF9 1/20 0.32
MAPT P10636 1/20 0.32
ARG1 P05089 1/20 0.32
ARG2 P78540 1/20 0.32
ALDH1A1 P00352 4/20 0.32
CYP2C19 P33261 2/20 0.32
KMT2A Q03164 2/20 0.32

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 SCHEMBL5025557 0.98 CYP1A2 (0.45) CYP1A2CYP2C9MAPK1HPGDHIF1A
SCHEMBL3317331 0.88 CYP1A2 (0.45) CYP1A2CYP2C9MAPK1HPGDHIF1A
SCHEMBL5028381 0.87 PRMT3 (0.46) CYP1A2CYP2C9MAPK1HPGDHIF1A
SCHEMBL8305883 0.87 PRMT3 (0.46) CYP1A2CYP2C9MAPK1HPGDHIF1A
SCHEMBL4808961 0.87 PRMT3 (0.50) CYP1A2CYP2C9MAPK1HPGDHIF1A
SCHEMBL10282626 0.86 PAOX (0.38) CYP1A2CYP2C9MAPK1HPGDHIF1A
Hydrochloric Acid SCHEMBL5024036 0.85 PRMT3 (0.43) CYP1A2CYP2C9MAPK1HPGDHIF1A
SCHEMBL10244307 0.85 CYP1A2 (0.42) CYP1A2CYP2C9MAPK1HPGDHIF1A
SCHEMBL15120484 0.84 PRMT3 (0.39) CYP1A2CYP2C9MAPK1HPGDHIF1A
Diethylaminoethanol SCHEMBL9291291 0.84 CYP1A2 (0.41) CYP1A2CYP2C9MAPK1HPGDHIF1A

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
EP-4328309-A2 LIPID COMPOSITION FUJIFILM Corporation (JP) 2024-02-28 EP disclosed
WO-2017120536-A1 POLYETHYLENIMINE (PEI)-POLYPEPTIDE CONJUGATES AND METHODS OF USE THEREOF APG THERAPEUTICS, INC. (US) 2017-07-13 WO disclosed
US-20170114062-A1 BENZAMIDE OR BENZAMINE COMPOUNDS USEFUL AS ANTICANCER AGENTS FOR THE TREATMENT OF HUMAN CANCERS THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM 2017-04-27 US disclosed
US-8097708-B2 10a-Azalide compound TAISHO PHARMACEUTICAL CO., LTD. (JP) 2012-01-17 US disclosed
US-20100104659-A1 BENZOPYRANOPYRAZOLES 4SC AG (DE) 2010-04-29 US disclosed
US-20090281292-A1 10a-Azalide Compound MEIJI SEIKA PHARMA CO., LTD. (JP) 2009-11-12 US disclosed
US-7442791-B2 Aminoalkylamide substituted cyclohexyl derivatives HOFFMANN-LA ROCHE INC. (US) 2008-10-28 US disclosed
EP-1667962-A1 AMINOALKYLAMIDE SUBSTITUTED CYCLOHEXYL DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2006-06-14 EP disclosed
WO-2005097768-A2 NOVEL GAMMA SECRETASE INHIBITORS SCHERING CORPORATION (US) 2005-10-20 WO disclosed
WO-2005028427-A1 AMINOALKYLAMIDE SUBSTITUTED CYCLOHEXYL DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2005-03-31 WO disclosed
US-20050065210-A1 Aminoalkylamide substituted cyclohexyl derivatives F. HOFFMANN-LA ROCHE AG (CH) 2005-03-24 US 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-20050065210-A1 Aminoalkylamide substituted cyclohexyl derivatives LSS, CYP51A1, CYP46A1 CYP1A2 135/4885CYP2C9 412/4885MAPK1 2015/4885
US-20170114062-A1 BENZAMIDE OR BENZAMINE COMPOUNDS USEFUL AS ANTICANCER AGENTS FOR THE TREATMENT OF HUMAN CANCERS ACAT1, ACAT2, NPC1L1 CYP1A2 1284/4885CYP2C9 2458/4885MAPK1 1801/4885
US-20090281292-A1 10a-Azalide Compound IL17A, AZI2, HDAC9 CYP1A2 1928/4885CYP2C9 395/4885MAPK1 2104/4885
US-20100104659-A1 BENZOPYRANOPYRAZOLES BAX, BCL2, BAD CYP1A2 647/4885CYP2C9 2263/4885MAPK1 1096/4885

“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.