SCHEMBL3454630

SCHEMBL3454630

O=C(O)c1ccccc1OCCCN1CCOCC1

nearest known ligand 0.67

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.67
ABCB1 P08183 2/20 0.67
KDM4E B2RXH2 5/20 0.63
ALDH1A1 P00352 1/20 0.62
SMN1; SMN2 Q16637 1/20 0.62
TDP1 Q9NUW8 1/20 0.62
KEAP1 Q14145 1/20 0.61
NFE2L2 Q16236 1/20 0.61
HTR1A P08908 1/20 0.60
POLB P06746 2/20 0.60
CYP1A2 P05177 1/20 0.60
CYP2D6 P10635 1/20 0.60
CYP2C19 P33261 1/20 0.60
MAPT P10636 1/20 0.58
L3MBTL1 Q9Y468 1/20 0.57
EPHX2 P34913 3/20 0.56

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
SCHEMBL6042440 0.93 POLB (0.68) USP2ABCB1KDM4EALDH1A1SMN1; SMN2
SCHEMBL29508119 0.88 DRD2 (0.69) USP2ABCB1KDM4EALDH1A1SMN1; SMN2
SCHEMBL15988103 0.87 ABCB1 (0.68) USP2ABCB1KDM4EALDH1A1SMN1; SMN2
SCHEMBL11336084 0.86 MAPT (0.76) ABCB1KDM4EALDH1A1SMN1; SMN2POLB
SCHEMBL6044788 0.86 KEAP1 (0.64) USP2ABCB1KDM4EALDH1A1SMN1; SMN2
SCHEMBL29508063 0.86 ABCB1 (0.67) USP2ABCB1KDM4EALDH1A1SMN1; SMN2
SCHEMBL21709940 0.85 USP2 (0.59) USP2ABCB1KDM4EALDH1A1SMN1; SMN2
SCHEMBL29994484 0.84 HTR1A (0.61) USP2ABCB1KDM4EALDH1A1SMN1; SMN2
SCHEMBL7315768 0.84 ALDH1A1 (0.64) USP2ABCB1KDM4EALDH1A1SMN1; SMN2
SCHEMBL21681937 0.82 USP2 (0.58) USP2ABCB1KDM4EALDH1A1SMN1; SMN2

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
WO-2017152842-A1 KINASE INHIBITORS NATIONAL INSTITUTE OF BIOLOGICAL SCIENCES, BEIJING (CN) 2017-09-14 WO disclosed
US-8735584-B2 Protein kinase inhibitors and use thereof MERCK PATENT GMBH (DE) 2014-05-27 US disclosed
EP-2254889-B1 PROTEIN KINASE INHIBITORS AND USE THEREOF MERCK PATENT GMBH (DE) 2012-12-19 EP disclosed
US-20110053906-A1 PROTEIN KINASE INHIBITORS AND USE THEREOF MERCK PATENT GMBH (DE) 2011-03-03 US disclosed
EP-2254889-A1 PROTEIN KINASE INHIBITORS AND USE THEREOF Merck Patent GmbH (DE) 2010-12-01 EP disclosed
WO-2009108670-A1 PROTEIN KINASE INHIBITORS AND USE THEREOF MERCK SERONO S.A. (CH) 2009-09-03 WO disclosed
US-20060089355-A1 Methods of treating alzheimer's disease using aromatically substituted w-amino-alkanoic acid amides and alkanoic acid diamides ELAN PHARMACEUTICALS, INC. 2006-04-27 US disclosed
WO-2003103652-A1 METHODS OF TREATING ALZHEIMER’S DISEASE USING AROMATICALLY SUBSTITUTED ω-AMINO-ALKANOIC ACID AMIDES AND ALKANOIC ACID DIAMIDES ELAN PHARMACEUTICALS, INC. (US) 2003-12-18 WO disclosed
US-5641778-A EXHIBIT RENIN-INHIBITING PROPERTIES AND CAN BE USED AS ANTIHYPERTENSIVE AGENTS CIBA-GEIGY CORPORATION (US) 1997-06-24 US disclosed
CN-1136556-A Aromatic group substituted W-amino alkyl amide and alkyl amide CIBA GEIGY CO LTD (CH) 1996-11-27 CN disclosed
EP-0716077-A1 Aromatically substituted omega amino alcanoic acid amides and alcanoic diamides and their use as renine inhibitors CIBA-GEIGY AG (CH) 1996-06-12 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 (2 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-20060089355-A1 Methods of treating alzheimer's disease using aromatically substituted w-amino-alkanoic acid amides and alkanoic acid diamides APP, BACE1, BACE2 USP2 502/4885ABCB1 2425/4885KDM4E 1951/4885
US-20110053906-A1 PROTEIN KINASE INHIBITORS AND USE THEREOF MAP4K2, MAP3K20, MAP4K1 USP2 3252/4885ABCB1 1206/4885KDM4E 1872/4885

“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.