SCHEMBL3351986

SCHEMBL3351986

CCCN(CCC)C(=O)CCC(N)=O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.57
HPGD P15428 1/20 0.57
CA12 O43570 3/20 0.43
CA2 P00918 3/20 0.43
CA9 Q16790 3/20 0.43
TSHR P16473 1/20 0.40
MAPK1 P28482 1/20 0.40
LMNA P02545 1/20 0.39
POLB P06746 1/20 0.39
APEX1 P27695 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
TP53 P04637 2/20 0.36
MEN1 O00255 1/20 0.36
FAAH O00519 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C19 P33261 1/20 0.36
SOAT1 P35610 1/20 0.36
KMT2A Q03164 1/20 0.36
CA1 P00915 2/20 0.36

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
SCHEMBL3347764 0.89 ALDH1A1 (0.55) ALDH1A1HPGDCA12CA2CA9
SCHEMBL1032662 0.87 MMP1 (0.48) ALDH1A1HPGDCA12CA9LMNA
SCHEMBL8384974 0.87 ALDH1A1 (0.53) ALDH1A1HPGDCA12CA2CA9
SCHEMBL8382812 0.85 ALDH1A1 (0.52) ALDH1A1HPGDCA12CA2CA9
SCHEMBL27188799 0.84 SOAT1 (0.48) ALDH1A1HPGDCA12CA2CA9
SCHEMBL7737120 0.84 SOAT1 (0.48) ALDH1A1HPGDCA12CA2CA9
SCHEMBL9714026 0.84 SOAT1 (0.48) ALDH1A1HPGDCA12CA2CA9
SCHEMBL7734572 0.84 SOAT1 (0.48) ALDH1A1HPGDCA12CA2CA9
SCHEMBL2524087 0.81 LMNA (0.61) ALDH1A1HPGDCA12CA2CA9
SCHEMBL1819894 0.80 ALDH1A1 (0.67) ALDH1A1HPGDCA12CA2CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117986145-A Synthesis method of bisamide derivative 中国石油化工股份有限公司 2024-05-07 CN disclosed
US-7727997-B2 N,N′-substituted-1,3-diamino-2-hydroxypropane derivatives ELAN PHARMACEUTICALS, INC. (US) 2010-06-01 US disclosed
US-7498436-B2 Substituted hydroxyethylamines PHARMACIA & UPJOHN COMPANY LLC (US) 2009-03-03 US disclosed
US-20070213316-A1 Compounds that are effective inhibitors of beta-secretase; inhibitors of beta-secretase-mediated cleavage of amyloid precursor proteins; effective inhibitors of A beta production, and/or are effective to reduce amyloid beta deposits or plaques; treatment of disorders such as Alzheimer's Disease ELAN PHARMACEUTICALS, INC. 2007-09-13 US disclosed
US-20070213407-A1 Compounds to treat Alzheimer's disease ELAN PHARMACEUTICALS AND PHARMACIA & UPJOHN COMPANY LLC 2007-09-13 US disclosed
US-7214715-B2 Compounds to treat Alzheimer's disease PHARMACIA & UPJOHN (US) 2007-05-08 US disclosed
US-20060106256-A1 Substituted hydroxyethylamines PHARMACIA & UPJOHN COMPANY 2006-05-18 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 (3 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-20070213407-A1 Compounds to treat Alzheimer's disease PSEN2, PSEN1, CHAT ALDH1A1 524/4885HPGD 564/4885CA12 1162/4885
US-20060106256-A1 Substituted hydroxyethylamines HNMT, PNMT, BCHE ALDH1A1 589/4885HPGD 356/4885CA12 2360/4885
US-20070213316-A1 Compounds that are effective inhibitors of beta-secretase; inhibitors of beta-secretase-mediated cleavage of amyloid precursor proteins; effective inhibitors of A beta production, and/or are effective to reduce amyloid beta deposits or plaques; treatment of disorders such as Alzheimer's Disease BACE1, BACE2, APP ALDH1A1 2133/4885HPGD 1390/4885CA12 4160/4885

“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.