SCHEMBL6043781

SCHEMBL6043781

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

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CHKA P35790 1/20 0.48
NPC1 O15118 1/20 0.47
TP53 P04637 1/20 0.47
HPGD P15428 1/20 0.47
RAB9A P51151 1/20 0.47
HDAC6 Q9UBN7 1/20 0.46
CHEK1 O14757 1/20 0.45
HRH3 Q9Y5N1 2/20 0.44
MAOB P27338 5/20 0.43
ALDH1A1 P00352 4/20 0.43
KDM4E B2RXH2 2/20 0.43
NPSR1 Q6W5P4 2/20 0.43
POLB P06746 1/20 0.42
MEN1 O00255 1/20 0.42
GAA P10253 1/20 0.42
KMT2A Q03164 1/20 0.42
MAOA P21397 2/20 0.42
FGFR3 P22607 2/20 0.42

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
SCHEMBL6043529 0.91 KMT2A (0.49) CHEK1HRH3KDM4EPOLBMEN1
SCHEMBL6043633 0.90 RAB9A (0.48) NPC1TP53HPGDRAB9AHDAC6
SCHEMBL6043654 0.90 KMT2A (0.51) CHEK1HRH3KDM4EPOLBMEN1
SCHEMBL6043682 0.89 HRH3 (0.48) TP53HRH3MAOBALDH1A1KDM4E
SCHEMBL6948249 0.89 TP53 (0.47) NPC1TP53HPGDRAB9AHDAC6
SCHEMBL6043609 0.88 KMT2A (0.53) NPC1TP53HPGDRAB9ACHEK1
SCHEMBL16485458 0.86 CHKA (0.54) CHKATP53HDAC6CHEK1KDM4E
SCHEMBL27467956 0.81 SIRT6 (0.53) NPC1TP53HPGDRAB9APOLB
SCHEMBL6043599 0.80 MEN1 (0.50) HRH3POLBMEN1KMT2A
SCHEMBL6043491 0.79 MEN1 (0.52) HRH3POLBMEN1KMT2A

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
CN-1136556-A Aromatic group substituted W-amino alkyl amide and alkyl amide CIBA GEIGY CO LTD (CH) 1996-11-27 CN 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 CHKA 2548/4885NPC1 2706/4885TP53 1771/4885

“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.