SCHEMBL6043372

SCHEMBL6043372

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.40
CHRM2 P08172 1/20 0.38
CHRM4 P08173 1/20 0.38
CHRM1 P11229 1/20 0.38
CHRM3 P20309 1/20 0.38
POLB P06746 3/20 0.36
KMT2A Q03164 2/20 0.36
MAPT P10636 2/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 3/20 0.36
VNN1 O95497 2/20 0.36
GRIN2B Q13224 1/20 0.35
PDE4B Q07343 1/20 0.35
RAB9A P51151 1/20 0.35
KDM4E B2RXH2 2/20 0.34
LMNA P02545 1/20 0.34
PRMT5 O14744 1/20 0.33
LRRK2 Q5S007 1/20 0.33
GNAI3 P08754 1/20 0.33
GNAO1 P09471 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
SCHEMBL6042881 0.90 NPC1 (0.45) NPC1CHRM2CHRM4CHRM1CHRM3
SCHEMBL6042828 0.86 GRIN2B (0.36) NPC1CHRM2CHRM4CHRM1CHRM3
SCHEMBL6043255 0.85 NPC1 (0.41) NPC1CHRM2CHRM4CHRM1CHRM3
SCHEMBL6043244 0.85 NPC1 (0.41) NPC1CHRM2CHRM4CHRM1CHRM3
SCHEMBL11892713 0.85 PDE4B (0.46) NPC1CHRM2CHRM4CHRM1CHRM3
SCHEMBL17642785 0.85 NPC1 (0.41) NPC1CHRM2CHRM4CHRM1CHRM3
SCHEMBL6043523 0.82 NPC1 (0.46) NPC1CHRM2CHRM4CHRM1CHRM3
SCHEMBL6043535 0.82 NPC1 (0.46) NPC1CHRM2CHRM4CHRM1CHRM3
SCHEMBL10272743 0.81 PIK3CD (0.43) ALDH1A1
SCHEMBL12522300 0.81 ALDH1A1 (0.39) NPC1CHRM2CHRM4CHRM1CHRM3

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 NPC1 2706/4885CHRM2 74/4885CHRM4 359/4885

“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.