SCHEMBL3510106

SCHEMBL3510106

O=C(O)NCCC(O)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.53
MTNR1B P49286 1/20 0.53
BCAT2 O15382 1/20 0.53
CNR1 P21554 4/20 0.51
CNR2 P34972 3/20 0.51
EPHX2 P34913 1/20 0.51
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
KDM4E B2RXH2 2/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
TAAR1 Q96RJ0 1/20 0.47
RIPK1 Q13546 1/20 0.47
CASR P41180 2/20 0.46
AOC3 Q16853 3/20 0.46
LMNA P02545 1/20 0.45

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
SCHEMBL6893009 0.91 BCAT2 (0.51) MTNR1AMTNR1BBCAT2CNR1CNR2
SCHEMBL3141390 0.91 BCAT2 (0.51) MTNR1AMTNR1BBCAT2CNR1CNR2
SCHEMBL7487803 0.89 NAAA (0.50) MTNR1AMTNR1BBCAT2CNR1CNR2
SCHEMBL8419392 0.85 MTNR1A (0.74) MTNR1AMTNR1BBCAT2CNR1CNR2
SCHEMBL28694793 0.85 MTNR1A (0.74) MTNR1AMTNR1BBCAT2CNR1CNR2
SCHEMBL2726416 0.84 MTNR1A (0.72) MTNR1AMTNR1BCNR1CNR2EPHX2
SCHEMBL21199469 0.84 CNR1 (0.51) CNR1CNR2RIPK1CASRAOC3
SCHEMBL22689982 0.84 CNR1 (0.51) MTNR1AMTNR1BBCAT2CNR1CNR2
SCHEMBL28242821 0.84 EPHX2 (0.75) EPHX2NPC1RAB9ASMN1; SMN2LMNA
SCHEMBL28242822 0.84 EPHX2 (0.75) EPHX2NPC1RAB9ASMN1; SMN2LMNA

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 32 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9980928-B2 Hydroxy aliphatic substituted phenyl aminoalkyl ether derivatives PROUS INSTITUTE FOR BIOMEDICAL RESEARCH, S.A. (ES) 2018-05-29 US disclosed
US-20170239197-A1 HYDROXY ALIPHATIC SUBSTITUTED PHENYL AMINOALKYL ETHER DERIVATIVES PROUS INSTITUTE FOR BIOMEDICAL RESEARCH, S.A. (ES) 2017-08-24 US disclosed
US-9624158-B2 Hydroxy aliphatic substituted phenyl aminoalkyl ether derivatives PROUS INSTITUTE FOR BIOMEDICAL RESEARCH, S.A. (ES) 2017-04-18 US disclosed
US-20170022180-A1 SUBSTITUTED 3-PHENYLPROPYLAMINE DERIVATIVES FOR THE TREATMENT OF OPHTHALMIC DISEASES AND DISORDERS ACUCELA INC. 2017-01-26 US disclosed
EP-2945702-B1 HYDROXY ALIPHATIC SUBSTITUTED PHENYL AMINOALKYL ETHER DERIVATIVES PROUS INST FOR BIOMEDICAL RES S A (ES) 2017-01-11 EP disclosed
US-20160326142-A1 PYRAZOLE CARBOXAMIDE COMPOUNDS, COMPOSITIONS AND METHODS OF USE GENENTECH, INC. (US) 2016-11-10 US disclosed
US-20160287561-A1 Inhibitors of AKT Activity NOVARTIS AG (CH) 2016-10-06 US disclosed
US-20160229831-A1 SUBSTITUTED 3-PHENYLPROPYLAMINE DERIVATIVES FOR THE TREATMENT OF OPHTHALMIC DISEASES AND DISORDERS ACUCELA INC. 2016-08-11 US disclosed
US-20160151369-A1 SUBSTITUTED 3-PHENYLPROPYLAMINE DERIVATIVES FOR THE TREATMENT OF OPHTHALMIC DISEASES AND DISORDERS ACUCELA INC. 2016-06-02 US disclosed
EP-2970099-A1 SUBSTITUTED 3-PHENYLPROPYLAMINE DERIVATIVES FOR THE TREATMENT OF OPHTHALMIC DISEASES AND DISORDERS Acucela, Inc. (US) 2016-01-20 EP disclosed
US-8410158-B2 Inhibitors of Akt activity GLAXOSMITHKLINE LLC (US) 2013-04-02 US disclosed
US-8273782-B2 Inhibitors of Akt activity GLAXOSMITHKLINE LLC (US) 2012-09-25 US disclosed
US-20100267759-A1 INHIBITORS OF Akt ACTIVITY SMITHKLINE BEECHAM CORPORATION (US) 2010-10-21 US disclosed
US-20100041726-A1 INHIBITORS OF Akt ACTIVITY SMITHKLINE BEECHAM CORPORATION 2010-02-18 US disclosed
US-20090209607-A1 INHIBITORS OF AKT ACTIVITY NOVARTIS AG (CH) 2009-08-20 US disclosed
US-20080318947-A1 Inhibitors of Akt Activity HEERDING DIRK A 2008-12-25 US disclosed
EP-1968568-A2 INHIBITORS OF Akt ACTIVITY SmithKline Beecham Corporation (US) 2008-09-17 EP disclosed
WO-2007076423-A2 INHIBITORS OF Akt ACTIVITY SMITHKLINE BEECHAM CORPORATION (US) 2007-07-05 WO disclosed
CN-1235870-C Novel use of phenyl hetero alkylamine derivatives ASTRAZENECA AB (SE) 2006-01-11 CN disclosed
CN-1411435-A Novel use of phenylheteroalkylamine derivatives ASTRAZENECA AB (SE) 2003-04-16 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 (10 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-20100267759-A1 INHIBITORS OF Akt ACTIVITY AKT2, AKT1, AKT3 MTNR1A 4332/4885MTNR1B 4158/4885BCAT2 672/4885
US-20160229831-A1 SUBSTITUTED 3-PHENYLPROPYLAMINE DERIVATIVES FOR THE TREATMENT OF OPHTHALMIC DISEASES AND DISORDERS ALDH1A2, PSEN2, CLN6 MTNR1A 22/4885MTNR1B 29/4885BCAT2 446/4885
US-20090209607-A1 INHIBITORS OF AKT ACTIVITY AKT2, AKT1, AKT3 MTNR1A 4332/4885MTNR1B 4158/4885BCAT2 672/4885
US-20160287561-A1 Inhibitors of AKT Activity AKT2, AKT1, AKT3 MTNR1A 4332/4885MTNR1B 4158/4885BCAT2 672/4885
US-20170239197-A1 HYDROXY ALIPHATIC SUBSTITUTED PHENYL AMINOALKYL ETHER DERIVATIVES SLC1A2, PNMT, DBH MTNR1A 1435/4885MTNR1B 1033/4885BCAT2 54/4885
US-20080318947-A1 Inhibitors of Akt Activity PI4KB, PIK3CA, AKT2 MTNR1A 4039/4885MTNR1B 3427/4885BCAT2 1733/4885
US-20170022180-A1 SUBSTITUTED 3-PHENYLPROPYLAMINE DERIVATIVES FOR THE TREATMENT OF OPHTHALMIC DISEASES AND DISORDERS ALDH1A2, PSEN2, CLN6 MTNR1A 22/4885MTNR1B 29/4885BCAT2 446/4885
US-20100041726-A1 INHIBITORS OF Akt ACTIVITY AKT2, AKT1, AKT3 MTNR1A 4332/4885MTNR1B 4158/4885BCAT2 672/4885
US-20160151369-A1 SUBSTITUTED 3-PHENYLPROPYLAMINE DERIVATIVES FOR THE TREATMENT OF OPHTHALMIC DISEASES AND DISORDERS ALDH1A2, PSEN2, CLN6 MTNR1A 22/4885MTNR1B 29/4885BCAT2 446/4885
US-20160326142-A1 PYRAZOLE CARBOXAMIDE COMPOUNDS, COMPOSITIONS AND METHODS OF USE CYP3A5, GLP1R, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 MTNR1A 2534/4885MTNR1B 2096/4885BCAT2 1117/4885

“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.