SCHEMBL6042828

SCHEMBL6042828

[CH2]CC(=O)N1CCC(OC)C1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 1/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
KMT2A Q03164 1/20 0.36
ALDH1A1 P00352 5/20 0.36
LMNA P02545 3/20 0.36
KDM4E B2RXH2 2/20 0.36
MAPT P10636 1/20 0.36
VNN1 O95497 2/20 0.35
PRMT5 O14744 1/20 0.34
CHRM2 P08172 1/20 0.34
CHRM4 P08173 1/20 0.34
CHRM1 P11229 1/20 0.34
CHRM3 P20309 1/20 0.34
PIK3CD O00329 2/20 0.33
PARP1 P09874 1/20 0.33
PARP2 Q9UGN5 1/20 0.33

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
SCHEMBL6043372 0.86 NPC1 (0.40) GRIN2BNPC1RAB9AKMT2AALDH1A1
SCHEMBL17642785 0.84 NPC1 (0.41) GRIN2BNPC1RAB9AKMT2AALDH1A1
SCHEMBL6043255 0.84 NPC1 (0.41) GRIN2BNPC1RAB9AKMT2AALDH1A1
SCHEMBL12522300 0.84 ALDH1A1 (0.39) GRIN2BNPC1RAB9AKMT2AALDH1A1
SCHEMBL6043872 0.84 ALDH1A1 (0.39) GRIN2BNPC1RAB9AKMT2AALDH1A1
SCHEMBL12522213 0.84 ALDH1A1 (0.39) GRIN2BNPC1RAB9AKMT2AALDH1A1
SCHEMBL10272743 0.84 PIK3CD (0.43) ALDH1A1PIK3CD
SCHEMBL15932469 0.84 PIK3CD (0.43) ALDH1A1PIK3CD
SCHEMBL6043865 0.84 GRIN2B (0.39) GRIN2BNPC1RAB9AKMT2AALDH1A1
SCHEMBL10272431 0.84 PIK3CD (0.43) ALDH1A1PIK3CD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 GRIN2B 699/4885NPC1 2706/4885RAB9A 2414/4885

“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.