SCHEMBL3754568

SCHEMBL3754568

N[C@@H](C=O)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 2/20 0.50
F2 P00734 1/20 0.50
CYP2D6 P10635 1/20 0.44
HTR2A P28223 1/20 0.40
TAAR1 Q96RJ0 1/20 0.40
ADRA2A P08913 1/20 0.39
ADRA2C P18825 1/20 0.39
LMNA P02545 1/20 0.39
HIF1A Q16665 1/20 0.39
KDM4E B2RXH2 1/20 0.39
SRC P12931 1/20 0.39

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
SCHEMBL1036921 1.00 DPP4 (0.50) DPP4F2CYP2D6HTR2ATAAR1
SCHEMBL255230 1.00 DPP4 (0.50) DPP4F2CYP2D6HTR2ATAAR1
Hydrochloric Acid SCHEMBL28664928 0.97 DPP4 (0.48) DPP4F2CYP2D6HTR2ATAAR1
Ammonia Solution, Strong SCHEMBL28379624 0.97 DPP4 (0.48) DPP4F2CYP2D6HTR2ATAAR1
Hydrochloric Acid SCHEMBL20900097 0.97 DPP4 (0.48) DPP4F2CYP2D6HTR2ATAAR1
SCHEMBL5534886 0.86 CHRNB2 (0.47) DPP4TAAR1
Hydrochloric Acid SCHEMBL13738816 0.83 TYR (0.33)
Hydrochloric Acid SCHEMBL3388587 0.77 DRD1 (0.32)
Hydrochloric Acid SCHEMBL2035158 0.77 DRD1 (0.32)
SCHEMBL21335077 0.77 DPP4 (0.42) DPP4F2CYP2D6HTR2ATAAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1051547-C Beta-lactams derivative and its prep. and use HOFFMANN LA ROCHE (CH) 2000-04-19 CN claimed
CN-1132752-A Beta-lactam derivatives, process for their preparation and their use HOFFMANN LA ROCHE (CH) 1996-10-09 CN claimed
WO-2014204895-A1 TREATMENT OF OBESITY AND PULMONARY ARTERIAL HYPERTENSION ALBERT EINSTEIN COLLEGE OF MEDICINE OF YESHIVA UNIVERSITY (US) 2014-12-24 WO disclosed
WO-2014141181-A1 PROCESS FOR PREPARING PEPTIDE DEFORMYLASE INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY NO 2 LIMITED (GB) 2014-09-18 WO disclosed
US-20130041156-A1 AZAPEPTIDE DERIVATIVES HARBESON SCOTT L (US) 2013-02-14 US disclosed
US-20120244122-A1 Peptides for the Treatment of HCV Infections CONCERT PHARMACEUTICALS, INC. 2012-09-27 US disclosed
EP-2049116-B1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2012-02-29 EP disclosed
US-20120009637-A1 Nitrilases, Nucleic Acids Encoding Them and Methods For Making and Using Them VERENIUM CORPORATION (US) 2012-01-12 US disclosed
EP-2295413-A1 Indazole compounds useful as protein kinase inhibitors Vertex Pharmaceuticals Incorporated (US) 2011-03-16 EP disclosed
EP-2295412-A1 Indazole compounds useful as protein kinase inhibitors Vertex Pharmaceuticals Incorporated (US) 2011-03-16 EP disclosed
US-20100298366-A1 CHEMOKINE RECEPTOR BINDING COMPOUNDS GENZYME CORPORATION (US) 2010-11-25 US disclosed
US-7790747-B2 Chemokine receptor binding compounds GENZYME CORPORATION (US) 2010-09-07 US disclosed
US-20100061960-A1 Amido Anti-Viral Compounds, Compositions, And Methods Of Use SCHMITZ FRANZ ULRICH 2010-03-11 US disclosed
WO-2009102694-A1 HETEROCYCLIC DERIVATIVES AS HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2009-08-20 WO disclosed
US-20090175824-A1 Peptides for the treatment of HCV infections CONCERT PHARMACEUTICALS, INC. 2009-07-09 US disclosed
US-20090099205-A1 Chemokine receptor binding compounds GENZYME CORPORATION 2009-04-16 US disclosed
US-20090036357-A1 Azapeptide derivatives CONCERT PHARMACEUTICALS, INC. (US) 2009-02-05 US disclosed
US-5494666-A BETA-LACTAMASE INHIBITORS, ANTIBACTERIALS HOFFMANN-LA ROCHE INC. (US) 1996-02-27 US disclosed
US-5464617-A 1H-2,6a-diazacyclobut(cd)indene-6-carboxylic acid derivatives, antibiotics HOFFMANN-LA ROCHE INC. (US) 1995-11-07 US disclosed
EP-0671401-A1 Beta lactames F. HOFFMANN-LA ROCHE AG (CH) 1995-09-13 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 (8 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-20130041156-A1 AZAPEPTIDE DERIVATIVES SAMHD1, ENTPD5, DNPEP DPP4 11/4885F2 4751/4885CYP2D6 738/4885
US-20090036357-A1 Azapeptide derivatives SAMHD1, ENTPD5, DNPEP DPP4 11/4885F2 4751/4885CYP2D6 738/4885
US-20100298366-A1 CHEMOKINE RECEPTOR BINDING COMPOUNDS CCR5, CXCR3, CCL5 DPP4 2004/4885F2 4488/4885CYP2D6 3964/4885
US-20090175824-A1 Peptides for the treatment of HCV infections DPP4, ZC3HAV1, CTSC DPP4 1/4885F2 3000/4885CYP2D6 3182/4885
US-20100061960-A1 Amido Anti-Viral Compounds, Compositions, And Methods Of Use HAVCR2, OAT, MAVS DPP4 167/4885F2 607/4885CYP2D6 3338/4885
US-20120244122-A1 Peptides for the Treatment of HCV Infections HAVCR2, VIP, PEPD DPP4 11/4885F2 2311/4885CYP2D6 3084/4885
US-20120009637-A1 Nitrilases, Nucleic Acids Encoding Them and Methods For Making and Using Them RNGTT, NSUN2, NSUN3 DPP4 2633/4885F2 4797/4885CYP2D6 2258/4885
US-20090099205-A1 Chemokine receptor binding compounds CCR5, CXCR3, CCL5 DPP4 2004/4885F2 4488/4885CYP2D6 3964/4885

“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.