SCHEMBL3348102

SCHEMBL3348102

N[C@@H](Cc1ccccc1)[C@H](O)CNCCc1ccc(Cl)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ANPEP P15144 1/20 0.48
ERAP2 Q6P179 1/20 0.48
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
MAPT P10636 1/20 0.46
MAPK1 P28482 1/20 0.46
ADRB2 P07550 5/20 0.45
ADRB1 P08588 1/20 0.45
ADRB3 P13945 1/20 0.45
BCHE P06276 1/20 0.44
SLC6A4 P31645 1/20 0.44
TAAR1 Q96RJ0 1/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
PLAAT3 P53816 1/20 0.43
PLAAT5 Q96KN8 1/20 0.43
PLAAT2 Q9NWW9 1/20 0.43
PLAAT4 Q9UL19 1/20 0.43

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
SCHEMBL6890169 1.00 ANPEP (0.48) ANPEPERAP2MEN1KMT2ASMN1; SMN2
Hydrochloric Acid SCHEMBL5220285 0.99 ANPEP (0.47) ANPEPERAP2MEN1KMT2ASMN1; SMN2
SCHEMBL4044665 0.92 ANPEP (0.55) ANPEPERAP2SMN1; SMN2MAPTADRB2
SCHEMBL3347864 0.92 ANPEP (0.55) ANPEPERAP2SMN1; SMN2MAPTADRB2
SCHEMBL496056 0.92 ANPEP (0.55) ANPEPERAP2SMN1; SMN2MAPTADRB2
SCHEMBL4696783 0.92 ANPEP (0.55) ANPEPERAP2SMN1; SMN2MAPTADRB2
Hydrochloric Acid SCHEMBL496686 0.90 ANPEP (0.54) ANPEPERAP2MAPTADRB2ADRB1
Hydrochloric Acid SCHEMBL5219517 0.90 ANPEP (0.54) ANPEPERAP2MAPTADRB2ADRB1
SCHEMBL3351268 0.87 ALDH1A1 (0.47) ANPEPERAP2MEN1KMT2ASMN1; SMN2
SCHEMBL3348066 0.86 KDM4E (0.51) ANPEPERAP2KMT2AADRB2ADRB1

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
US-20020128255-A1 Compounds to treat alzheimer's disease PHARMACIA & UPJOHN COMPANY 2002-09-12 US 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 (4 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-20020128255-A1 Compounds to treat alzheimer's disease PSEN2, PSEN1, APP ANPEP 728/4885ERAP2 571/4885MEN1 1558/4885
US-20070213407-A1 Compounds to treat Alzheimer's disease PSEN2, PSEN1, CHAT ANPEP 283/4885ERAP2 740/4885MEN1 2249/4885
US-20060106256-A1 Substituted hydroxyethylamines HNMT, PNMT, BCHE ANPEP 135/4885ERAP2 282/4885MEN1 815/4885
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 ANPEP 140/4885ERAP2 380/4885MEN1 2356/4885

“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.