SCHEMBL3397574

SCHEMBL3397574

C=CC(=O)NCCSc1ccc(OC)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 3/20 0.69
MTNR1B P49286 3/20 0.69
ALDH1A1 P00352 7/20 0.60
SMN1; SMN2 Q16637 5/20 0.58
NPC1 O15118 4/20 0.58
RAB9A P51151 4/20 0.58
NFKB1 P19838 1/20 0.58
NFKB2 Q00653 1/20 0.58
RELA Q04206 1/20 0.58
TGM2 P21980 1/20 0.51
HPGD P15428 1/20 0.49
LMNA P02545 4/20 0.48
KMT2A Q03164 3/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
POLB P06746 1/20 0.47
MAPK1 P28482 2/20 0.45
PKM P14618 1/20 0.44
MEN1 O00255 2/20 0.44
MAPT P10636 1/20 0.44
ALOX12 P18054 1/20 0.44

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
SCHEMBL8015226 0.84 ALDH1A1 (0.62) ALDH1A1SMN1; SMN2HPGDLMNAKMT2A
SCHEMBL3401444 0.82 MTNR1A (0.77) MTNR1AMTNR1BALDH1A1SMN1; SMN2NPC1
SCHEMBL3400130 0.82 MTNR1A (1.00) MTNR1AMTNR1BALDH1A1SMN1; SMN2NPC1
SCHEMBL16502316 0.81 ALDH1A1 (0.46) MTNR1AMTNR1BALDH1A1SMN1; SMN2NPC1
SCHEMBL8017839 0.80 MTNR1A (0.63) MTNR1AMTNR1BALDH1A1SMN1; SMN2NPC1
SCHEMBL8017796 0.80 ALDH1A1 (0.48) MTNR1AMTNR1BALDH1A1SMN1; SMN2NPC1
SCHEMBL10364151 0.78 MTNR1A (0.55) MTNR1AMTNR1BALDH1A1SMN1; SMN2NPC1
SCHEMBL27823812 0.78 MTNR1A (0.71) MTNR1AMTNR1BALDH1A1SMN1; SMN2NPC1
SCHEMBL8478088 0.78 ALDH1A1 (0.69) ALDH1A1SMN1; SMN2NPC1RAB9ATGM2
SCHEMBL3398302 0.77 MTNR1A (0.69) MTNR1AMTNR1BALDH1A1SMN1; SMN2NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9573914-B2 Process for preparing benzothiazepines from gamma-aminoalkylbenzenes LES LABORATOIRES SERVIER (FR) 2017-02-21 US disclosed
US-9573914-B2 Process for preparing benzothiazepines from gamma-aminoalkylbenzenes LES LABORATOIRES SERVIER (FR) 2017-02-21 US disclosed
US-9573914-B2 Process for preparing benzothiazepines from gamma-aminoalkylbenzenes LES LABORATOIRES SERVIER (FR) 2017-02-21 US disclosed
US-20140121368-A1 PROCESS FOR PREPARING BENZOTHIAZEPINES FROM GAMMA-AMINOALKYLBENZENES ARMGO PHARMA, INC. (US) 2014-05-01 US disclosed
US-20140121368-A1 PROCESS FOR PREPARING BENZOTHIAZEPINES FROM GAMMA-AMINOALKYLBENZENES ARMGO PHARMA, INC. (US) 2014-05-01 US disclosed
US-20140121368-A1 PROCESS FOR PREPARING BENZOTHIAZEPINES FROM GAMMA-AMINOALKYLBENZENES ARMGO PHARMA, INC. (US) 2014-05-01 US disclosed
US-8618282-B2 Process for preparing benzothiazepines from gamma-aminoalkylbenzenes LES LABORATOIRES SERVIER (FR) 2013-12-31 US disclosed
CN-101977902-B Method for preparing benzothiazepines from gamma-aminoalkylbenzenes ARMGO PHARMA INC 2013-10-30 CN disclosed
EP-2250159-B1 PROCESS FOR PREPARING BENZOTHIAZEPINES FROM GAMMA-AMINOALKYLBENZENES ARMGO PHARMA INC (US) 2011-12-07 EP disclosed
CN-101977902-A Method for preparing benzothiazepines from gamma-aminoalkylbenzenes ARMGO PHARMA INC 2011-02-16 CN disclosed
EP-2250159-A1 PROCESS FOR PREPARING BENZOTHIAZEPINES FROM GAMMA-AMINOALKYLBENZENES Armgo Pharma, Inc. (US) 2010-11-17 EP disclosed
WO-2009111463-A1 PROCESS FOR PREPARING BENZOTHIAZEPINES FROM GAMMA-AMINOALKYLBENZENES ARMGO PHARMA, INC. (US) 2009-09-11 WO disclosed
WO-2009111463-A1 PROCESS FOR PREPARING BENZOTHIAZEPINES FROM GAMMA-AMINOALKYLBENZENES ARMGO PHARMA, INC. (US) 2009-09-11 WO disclosed
US-20090227788-A1 PROCESS FOR PREPARING BENZOTHIAZEPINES FROM GAMMA-AMINOALKYLBENZENES RYCARMA THERAPEUTICS, INC. 2009-09-10 US disclosed
US-20090227788-A1 PROCESS FOR PREPARING BENZOTHIAZEPINES FROM GAMMA-AMINOALKYLBENZENES RYCARMA THERAPEUTICS, INC. 2009-09-10 US disclosed
US-20090227788-A1 PROCESS FOR PREPARING BENZOTHIAZEPINES FROM GAMMA-AMINOALKYLBENZENES RYCARMA THERAPEUTICS, INC. 2009-09-10 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 (2 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-20140121368-A1 PROCESS FOR PREPARING BENZOTHIAZEPINES FROM GAMMA-AMINOALKYLBENZENES TPMT, SULT2A1, GABRA4 MTNR1A 1676/4885MTNR1B 1156/4885ALDH1A1 55/4885
US-20090227788-A1 PROCESS FOR PREPARING BENZOTHIAZEPINES FROM GAMMA-AMINOALKYLBENZENES TPMT, SULT2A1, KCNJ2 MTNR1A 1674/4885MTNR1B 1154/4885ALDH1A1 57/4885

“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.