SCHEMBL3357077

SCHEMBL3357077

Cc1ccc(CCNC[C@@H](O)[C@@H](N)Cc2ccccc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ANPEP P15144 2/20 0.48
ERAP2 Q6P179 2/20 0.48
CCR3 P51677 1/20 0.45
ADRB2 P07550 4/20 0.45
ADRB1 P08588 1/20 0.45
ADRB3 P13945 1/20 0.45
CSNK1E P49674 1/20 0.45
PLAAT3 P53816 2/20 0.43
PLAAT5 Q96KN8 2/20 0.43
PLAAT2 Q9NWW9 2/20 0.43
PLAAT4 Q9UL19 2/20 0.43
METAP2 P50579 1/20 0.43
METAP1 P53582 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
F2 P00734 2/20 0.42
SIGMAR1 Q99720 2/20 0.41
KDM4E B2RXH2 1/20 0.41
GAA P10253 1/20 0.41
SMN1; SMN2 Q16637 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
Hydrochloric Acid SCHEMBL5222130 0.99 ANPEP (0.47) ANPEPERAP2CCR3ADRB2ADRB1
SCHEMBL3347864 0.92 ANPEP (0.55) ANPEPERAP2ADRB2CSNK1ENPC1
SCHEMBL496056 0.92 ANPEP (0.55) ANPEPERAP2ADRB2CSNK1ENPC1
SCHEMBL4696783 0.92 ANPEP (0.55) ANPEPERAP2ADRB2CSNK1ENPC1
SCHEMBL4044665 0.92 ANPEP (0.55) ANPEPERAP2ADRB2CSNK1ENPC1
Hydrochloric Acid SCHEMBL5219517 0.90 ANPEP (0.54) ANPEPERAP2ADRB2ADRB1ADRB3
Hydrochloric Acid SCHEMBL496686 0.90 ANPEP (0.54) ANPEPERAP2ADRB2ADRB1ADRB3
SCHEMBL3348066 0.86 KDM4E (0.51) ANPEPERAP2ADRB2ADRB1ADRB3
SCHEMBL3348102 0.86 ANPEP (0.48) ANPEPERAP2ADRB2ADRB1ADRB3
SCHEMBL6890169 0.86 ANPEP (0.48) ANPEPERAP2ADRB2ADRB1ADRB3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 ANPEP 283/4885ERAP2 740/4885CCR3 4057/4885
US-20060106256-A1 Substituted hydroxyethylamines HNMT, PNMT, BCHE ANPEP 135/4885ERAP2 282/4885CCR3 3897/4885
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 380/4885CCR3 4551/4885

“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.