SCHEMBL6043682

SCHEMBL6043682

COCCCCOc1cc(CN2CCN(C(C)=O)CC2)ccc1C(=O)OC

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.48
MEN1 O00255 4/20 0.45
KMT2A Q03164 4/20 0.45
ATM Q13315 1/20 0.45
FAAH O00519 1/20 0.43
KDM4E B2RXH2 4/20 0.43
TP53 P04637 1/20 0.43
MAPK1 P28482 1/20 0.43
LTA4H P09960 1/20 0.43
DRD3 P35462 1/20 0.43
THRB P10828 2/20 0.42
ALDH1A1 P00352 2/20 0.42
MAOB P27338 2/20 0.41
NPSR1 Q6W5P4 1/20 0.41
MAOA P21397 1/20 0.41

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
SCHEMBL6044203 0.90 HRH3 (0.49) HRH3MEN1KMT2AATMFAAH
SCHEMBL6043781 0.89 CHKA (0.48) HRH3MEN1KMT2AKDM4ETP53
SCHEMBL6043529 0.89 KMT2A (0.49) HRH3MEN1KMT2AKDM4E
SCHEMBL6043654 0.88 KMT2A (0.51) HRH3MEN1KMT2AKDM4E
SCHEMBL6043609 0.86 KMT2A (0.53) MEN1KMT2AKDM4ETP53MAPK1
SCHEMBL27466068 0.82 KMT2A (0.51) MEN1KMT2AALDH1A1
SCHEMBL6043633 0.79 RAB9A (0.48) HRH3MEN1KMT2AKDM4ETP53
SCHEMBL6043599 0.78 MEN1 (0.50) HRH3MEN1KMT2A
SCHEMBL6948249 0.78 TP53 (0.47) HRH3MEN1KMT2AKDM4ETP53
SCHEMBL6043491 0.77 MEN1 (0.52) HRH3MEN1KMT2A

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 3 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

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 HRH3 127/4885MEN1 1992/4885KMT2A 2309/4885

“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.