SCHEMBL3353364

SCHEMBL3353364

CCCN(CCC)c1cc(C(N)=O)ccn1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 3/20 0.48
KDM5C P41229 2/20 0.43
KDM5B Q9UGL1 2/20 0.43
KDM5A P29375 1/20 0.43
KDM5D Q9BY66 1/20 0.43
KDM4C Q9H3R0 1/20 0.43
S1PR1 P21453 3/20 0.41
S1PR3 Q99500 1/20 0.41
KDM4E B2RXH2 1/20 0.40
LMNA P02545 1/20 0.40
CYP3A4 P08684 1/20 0.40
TSHR P16473 1/20 0.40
KDM4B O94953 1/20 0.39
HRH4 Q9H3N8 2/20 0.39
CYP1A2 P05177 2/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
HSD17B10 Q99714 1/20 0.39
AOC3 Q16853 1/20 0.39
PROKR1 Q8TCW9 1/20 0.38

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
Hydrochloric Acid SCHEMBL3855650 0.98 HCAR3 (0.47) HCAR3KDM5CKDM5BKDM5AKDM5D
SCHEMBL3352698 0.86 HCAR3 (0.60) HCAR3KDM5CKDM5BKDM5AKDM4C
Hydrochloric Acid SCHEMBL3355173 0.84 HCAR3 (0.59) HCAR3KDM5CKDM5BKDM5AKDM4C
SCHEMBL4863259 0.79 S1PR1 (0.48) HCAR3S1PR1S1PR3HSD17B10AOC3
SCHEMBL4306410 0.78 PROKR1 (0.45) KDM5CKDM5BKDM5AKDM5DKDM4C
SCHEMBL30228066 0.76 PROKR1 (0.48) KDM5CKDM5BKDM5AKDM5DKDM4C
SCHEMBL3807628 0.76 ALDH1A1 (0.49) KDM5CKDM5BKDM5AKDM5DKDM4C
SCHEMBL509375 0.74 KDM5C (0.41) KDM5CKDM5BKDM5AKDM5DKDM4C
SCHEMBL11637312 0.74 HCAR3 (0.46) HCAR3S1PR1S1PR3KDM4EAOC3
SCHEMBL30260189 0.74 AURKA (0.49) KDM5CKDM5BKDM5AKDM5DKDM4C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2004502669-A 2004-01-29 JP claimed
EP-1353898-A2 COMPOUNDS TO TREAT ALZHEIMER'S DISEASE Elan Pharmaceuticals, Inc. (US) 2003-10-22 EP claimed
WO-2002002512-A2 COMPOUNDS TO TREAT ALZHEIMER'S DISEASE ELAN PHARMACEUTICALS, INC. (US) 2002-01-10 WO claimed
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-7176242-B2 N,N′-substituted-1,3-diamino-2-hydroxypropane derivatives ELAN PHARMACEUTICALS, INC. (US) 2007-02-13 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 HCAR3 627/4885KDM5C 2660/4885KDM5B 1565/4885
US-20060106256-A1 Substituted hydroxyethylamines HNMT, PNMT, BCHE HCAR3 91/4885KDM5C 301/4885KDM5B 316/4885
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 HCAR3 2015/4885KDM5C 4492/4885KDM5B 4050/4885

“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.