SCHEMBL4407404

SCHEMBL4407404

CC(=O)NC(C)C(O)c1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2C P18825 2/20 0.60
CHRM2 P08172 1/20 0.60
ADRA1A P35348 1/20 0.60
RGS12 O14924 1/20 0.60
GLA P06280 1/20 0.60
CYP3A4 P08684 1/20 0.60
CYP2D6 P10635 1/20 0.60
CYP2C9 P11712 1/20 0.60
PKM P14618 1/20 0.60
ALOX15 P16050 1/20 0.60
TSHR P16473 1/20 0.60
ALOX12 P18054 1/20 0.60
NFKB1 P19838 1/20 0.60
HTR2A P28223 1/20 0.60
CYP2C19 P33261 1/20 0.60
THPO P40225 1/20 0.60
GNAI1 P63096 1/20 0.60
HSD17B10 Q99714 1/20 0.60
KMT2A Q03164 3/20 0.58
MEN1 O00255 2/20 0.58

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
SCHEMBL4407406 1.00 ADRA2C (0.60) ADRA2CCHRM2ADRA1ARGS12GLA
SCHEMBL14350791 1.00 ADRA2C (0.60) ADRA2CCHRM2ADRA1ARGS12GLA
SCHEMBL14393865 1.00 ADRA2C (0.60) ADRA2CCHRM2ADRA1ARGS12GLA
SCHEMBL14350766 1.00 ADRA2C (0.60) ADRA2CCHRM2ADRA1ARGS12GLA
SCHEMBL16164987 0.86 ADRA2C (0.62) ADRA2CCHRM2ADRA1ARGS12GLA
SCHEMBL24736940 0.83 ADRA2C (0.58) ADRA2CCHRM2ADRA1ARGS12GLA
SCHEMBL15159770 0.83 ACACB (0.43) ADRA2CCHRM2ADRA1ARGS12GLA
SCHEMBL21051185 0.83 ADRA2C (0.58) ADRA2CCHRM2ADRA1ARGS12GLA
SCHEMBL1863628 0.83 ADRA2C (0.58) ADRA2CCHRM2ADRA1ARGS12GLA
SCHEMBL14338230 0.83 ADRA2C (0.58) ADRA2CCHRM2ADRA1ARGS12GLA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115894277-A Preparation method and application of amide alkaloid EB-A extracted from equisetum hiemale 河南中医药大学 2023-04-04 CN disclosed
US-7553816-B2 p-amidobenzylethers in drug delivery agents SEATTLE GENETICS, INC. (US) 2009-06-30 US disclosed
US-7423116-B2 Pentapeptide compounds and uses related thereto SEATTLE GENETICS INC. (US) 2008-09-09 US disclosed
US-7256257-B2 Pentapeptide compounds and uses related thereto SEATTLE GENETICS, INC. (US) 2007-08-14 US disclosed
US-20060229253-A1 Pentapeptide compounds and uses related thereto SEATTLE GENETICS, INC. 2006-10-12 US disclosed
US-7098308-B2 Pentapetide containing a proline amino acid; cytotoxic agent SEATTLE GENETICS, INC. (US) 2006-08-29 US disclosed
US-7091186-B2 p-Amidobenzylethers in drug delivery agents SEATTLE GENETICS, INC. (US) 2006-08-15 US disclosed
EP-1390393-A4 PENTAPEPTIDE COMPOUNDS AND USES RELATED THERETO SEATTLE GENETICS INC (US) 2006-05-24 EP disclosed
EP-1442006-B1 PREPARATION OF AMPHETAMINES FROM PHENYLPROPANOLAMINES BOEHRINGER INGELHEIM CHEMICALS (US) 2005-08-24 EP disclosed
US-20050113308-A1 Pentapeptide compounds and uses related thereto SEATTLE GENETICS, INC. 2005-05-26 US disclosed
US-20030130189-A1 P-amidobenzylethers in drug delivery agents SEAGEN INC. 2003-07-10 US disclosed
US-20030096743-A1 p-Amidobenzylethers in drug delivery agents SEATTLE GENETICS, INC. 2003-05-22 US disclosed
WO-2003037843-A2 PREPARATION OF AMPHETAMINES FROM PHENYLPROPANOLAMINES BOEHRINGER INGELHEIM CHEMICALS, INC. (US) 2003-05-08 WO disclosed
US-20030083263-A1 Pentapeptide compounds and uses related thereto SEATTLE GENETICS INCORPORATED 2003-05-01 US disclosed
WO-2003026577-A2 P-AMIDOBENZYLETHERS IN DRUG DELIVERY AGENTS SEATTLE GENETICS, INC. (US) 2003-04-03 WO disclosed
WO-2002088172-A2 PENTAPEPTIDE COMPOUNDS AND USES RELATED THERETO SEATTLE GENETICS, INC. (US) 2002-11-07 WO disclosed
US-6399828-B1 ACYLATION OF PHENYLPROPANOLAMINE; CATALYTIC HYDROGENATION BOEHRINGER INGELHEIM CHEMICALS, INC. 2002-06-04 US disclosed
US-4391980-A FOR INVERSION OF CONFIGURATION OF OPTICALLY ACTIVE COMPOUNDS CIBA-GEIGY CORPORATION (US) 1983-07-05 US disclosed
US-4294966-A SALT FORMATION CIBA-GEIGY CORPORATION (US) 1981-10-13 US disclosed
EP-0007605-A1 A process for inverting the configuration in optically active compounds and optically active intermediate compounds and their salts required therefor CIBA-GEIGY AG (CH) 1980-02-06 EP 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 (5 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-20050113308-A1 Pentapeptide compounds and uses related thereto VIP, NGLY1, DNPEP ADRA2C 4773/4885CHRM2 3769/4885ADRA1A 4622/4885
US-20030083263-A1 Pentapeptide compounds and uses related thereto NGLY1, VIP, DNPEP ADRA2C 4855/4885CHRM2 4825/4885ADRA1A 4824/4885
US-20030130189-A1 P-amidobenzylethers in drug delivery agents ZYX, LPXN, NPBWR1 ADRA2C 2672/4885CHRM2 2386/4885ADRA1A 1485/4885
US-20060229253-A1 Pentapeptide compounds and uses related thereto VIP, NGLY1, DNPEP ADRA2C 4657/4885CHRM2 4349/4885ADRA1A 4552/4885
US-20030096743-A1 p-Amidobenzylethers in drug delivery agents ZYX, LPXN, NPBWR1 ADRA2C 2544/4885CHRM2 2404/4885ADRA1A 2017/4885

“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.