SCHEMBL6042440

SCHEMBL6042440

O=C(O)c1ccccc1OCCN1CCOCC1

nearest known ligand 0.68

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.68
KDM4E B2RXH2 4/20 0.67
ABCB1 P08183 1/20 0.62
DRD1 P21728 2/20 0.60
DRD2 P14416 1/20 0.60
DRD3 P35462 1/20 0.60
DRD4 P21917 1/20 0.60
DRD5 P21918 1/20 0.60
CNR1 P21554 1/20 0.59
CNR2 P34972 1/20 0.59
ALDH1A1 P00352 3/20 0.58
USP2 O75604 1/20 0.58
L3MBTL1 Q9Y468 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.57
TDP1 Q9NUW8 1/20 0.57
KMT2A Q03164 3/20 0.55
MEN1 O00255 2/20 0.55
GAA P10253 1/20 0.55
PTK2B Q14289 1/20 0.55

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
SCHEMBL3454630 0.93 USP2 (0.67) POLBKDM4EABCB1ALDH1A1USP2
SCHEMBL8555636 0.88 MEN1 (0.62) POLBKDM4EABCB1DRD1DRD2
SCHEMBL16676773 0.88 ABCB1 (0.66) POLBKDM4EABCB1DRD1DRD2
SCHEMBL1874443 0.86 KDM4E (0.64) POLBKDM4EABCB1DRD1DRD2
SCHEMBL8401002 0.86 DRD2 (0.75) KDM4EABCB1DRD1DRD2DRD3
SCHEMBL11365759 0.86 DRD2 (0.75) KDM4EABCB1DRD1DRD2DRD3
SCHEMBL6044278 0.85 MEN1 (0.72) POLBKDM4EABCB1DRD1DRD2
SCHEMBL21681985 0.85 NPC1 (0.63) POLBKDM4EDRD1DRD4DRD5
Hydrochloric Acid SCHEMBL8665681 0.84 DRD2 (0.73) KDM4EABCB1DRD1DRD2DRD3
SCHEMBL21681926 0.84 POLB (0.62) POLBKDM4EDRD1DRD4DRD5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11022604-B2 Dock derived compound against laminin receptor (37 LR) and uses thereof PURDUE RESEARCH FOUNDATION (US) 2021-06-01 US disclosed
US-11022604-B2 Dock derived compound against laminin receptor (37 LR) and uses thereof PURDUE RESEARCH FOUNDATION (US) 2021-06-01 US disclosed
US-20200064334-A1 Dock Derived Compound against Laminin Receptor (37 LR) and Uses thereof PURDUE RESEARCH FOUNDATION (US) 2020-02-27 US disclosed
US-20200064334-A1 Dock Derived Compound against Laminin Receptor (37 LR) and Uses thereof PURDUE RESEARCH FOUNDATION (US) 2020-02-27 US 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
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
US-4298603-A LOCAL ANESTHETICS INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE (TW) 1981-11-03 US disclosed
EP-0031632-A1 O-Aminoalkylsalicylates, process for their preparation, and their pharmaceutical compositions INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE (TW) 1981-07-08 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 (3 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 POLB 3076/4885KDM4E 1951/4885ABCB1 2425/4885
US-20200064334-A1 Dock Derived Compound against Laminin Receptor (37 LR) and Uses thereof ILK, LRRC47, RPL37 POLB 2907/4885KDM4E 3638/4885ABCB1 3205/4885
US-11022604-B2 Dock derived compound against laminin receptor (37 LR) and uses thereof ILK, LRRC47, RPL37 POLB 2907/4885KDM4E 3638/4885ABCB1 3205/4885

“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.