SCHEMBL6043868

SCHEMBL6043868

CC1CN(CC[O])CCO1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.47
PDK1 Q15118 1/20 0.42
DRD1 P21728 1/20 0.42
DRD3 P35462 4/20 0.34
EBP Q15125 1/20 0.32
SIGMAR1 Q99720 1/20 0.32
WNT1 P04628 1/20 0.32
GSK3B P49841 1/20 0.32
DYRK1A Q13627 1/20 0.32
GLRA1 P23415 1/20 0.32
SYK P43405 2/20 0.32
GRM2 Q14416 3/20 0.31
MAPK1 P28482 1/20 0.31

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
SCHEMBL6043208 0.89 KDM1A (0.44) KDM1APDK1DRD1DRD3EBP
SCHEMBL9801716 0.82 DRD3 (0.49) KDM1APDK1DRD1DRD3EBP
SCHEMBL24508777 0.82 DRD3 (0.49) KDM1APDK1DRD1DRD3EBP
SCHEMBL26972530 0.82 DRD3 (0.49) KDM1APDK1DRD1DRD3EBP
SCHEMBL12234718 0.82 KDM1A (0.51) KDM1APDK1DRD1MAPK1
SCHEMBL6043875 0.80 KDM1A (0.47) KDM1APDK1DRD1DRD3EBP
SCHEMBL27812343 0.80 KDM1A (0.47) KDM1APDK1DRD1DRD3EBP
SCHEMBL9801367 0.80 KDM1A (0.47) KDM1APDK1DRD1DRD3EBP
SCHEMBL10296636 0.80 KDM1A (0.47) KDM1APDK1DRD1DRD3EBP
SCHEMBL12234177 0.80 KDM1A (0.50) KDM1APDK1DRD1DRD3EBP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023225359-A1 ANTIBODY-DRUG CONJUGATES OF ANTINEOPLASTIC COMPOUNDS AND METHODS OF USE THEREOF NOVARTIS AG (CH) 2023-11-23 WO claimed
WO-2023161317-A1 5-[7-(3,4-DIHYDRO-1H-ISOQUINOLINE-2-CARBONYL)-1,2,3,4 TETRAHYDROISOQUINOLIN-6-Y L]-1H-PYRROLE-3-CARBOXAMIDE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR USES AS PRO-APOPTOTIC AGENTS LES LABORATOIRES SERVIER (FR) 2023-08-31 WO claimed
WO-2023225359-A1 ANTIBODY-DRUG CONJUGATES OF ANTINEOPLASTIC COMPOUNDS AND METHODS OF USE THEREOF NOVARTIS AG (CH) 2023-11-23 WO disclosed
WO-2023161317-A1 5-[7-(3,4-DIHYDRO-1H-ISOQUINOLINE-2-CARBONYL)-1,2,3,4 TETRAHYDROISOQUINOLIN-6-Y L]-1H-PYRROLE-3-CARBOXAMIDE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR USES AS PRO-APOPTOTIC AGENTS LES LABORATOIRES SERVIER (FR) 2023-08-31 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
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 (1 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 KDM1A 807/4885PDK1 1907/4885DRD1 906/4885

“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.