SCHEMBL381892

SCHEMBL381892

CCC(N=C(c1ccccc1)c1ccccc1)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 1/20 0.48
PGR P06401 1/20 0.43
ADRA2A P08913 1/20 0.43
ADRA2B P18089 1/20 0.43
HTR2A P28223 1/20 0.43
HRH1 P35367 1/20 0.43
KCNH2 Q12809 1/20 0.43
CES2 O00748 2/20 0.41
CES1 P23141 2/20 0.41
ALDH1A1 P00352 4/20 0.41
NPSR1 Q6W5P4 1/20 0.41
TSHR P16473 2/20 0.40
RAB9A P51151 2/20 0.39
HSD17B10 Q99714 2/20 0.39
POLB P06746 1/20 0.39
CYP3A4 P08684 1/20 0.39
PARP1 P09874 1/20 0.39
MAPT P10636 1/20 0.39
CYP2C19 P33261 1/20 0.39
RECQL P46063 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
SCHEMBL1068928 0.85 AAK1 (0.43) AAK1PGRADRA2AADRA2BHTR2A
SCHEMBL1068927 0.85 AAK1 (0.43) AAK1PGRADRA2AADRA2BHTR2A
SCHEMBL12087979 0.83 AAK1 (0.50) AAK1PGRADRA2AADRA2BHTR2A
SCHEMBL5928301 0.83 MEN1 (0.51) AAK1ALDH1A1TSHRRAB9APOLB
SCHEMBL7711956 0.83 AAK1 (0.47) AAK1PGRADRA2AADRA2BHTR2A
SCHEMBL1741951 0.82 AAK1 (0.46) AAK1PGRADRA2AADRA2BHTR2A
SCHEMBL2560172 0.81 AAK1 (0.44) AAK1CES2CES1ALDH1A1TSHR
SCHEMBL27842018 0.81 AAK1 (0.43) AAK1PGRADRA2AADRA2BHTR2A
SCHEMBL28884384 0.81 AAK1 (0.45) AAK1PGRADRA2AADRA2BHTR2A
SCHEMBL28367766 0.81 AAK1 (0.45) AAK1PGRADRA2AADRA2BHTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0342558-B1 2-amino-4,5-methyleneadipic acid compounds for treatment of CNS disorders SEARLE & CO (US) 1994-02-02 EP claimed
JP-1128964-A None JP disclosed
CN-120025302-A Synthesis method of Fmoc-L-4' -tetrahydropyranyl glycine 康化(上海)新药研发有限公司 2025-05-23 CN disclosed
US-12281101-B2 Bicyclic lactams and methods of use thereof GENENTECH, INC. (US) 2025-04-22 US disclosed
CN-117417292-B Heteroaryl-containing unnatural amino acid and application thereof 浙江新码生物医药有限公司 2024-07-12 CN disclosed
CN-117417292-A Heteroaryl-containing unnatural amino acid and application thereof 浙江新码生物医药有限公司 2024-01-19 CN disclosed
US-20220348559-A1 BICYCLIC LACTAMS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2022-11-03 US disclosed
CN-115197139-A Preparation method of roxasistat and intermediate thereof 南京方生和医药科技有限公司 2022-10-18 CN disclosed
US-10988459-B2 Bicyclic lactams and methods of use thereof GENENTECH, INC. (US) 2021-04-27 US disclosed
US-10835520-B2 Phenyl derivative ONO PHARMACEUTICAL CO., LTD. (JP) 2020-11-17 US disclosed
US-7700589-B2 CGRP antagonists BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2010-04-20 US disclosed
EP-2157856-A1 HERBICIDALLY EFFECTIVE COMPOSITION Basf Se (DE) 2010-03-03 EP disclosed
US-7538115-B2 Substituted piperidines, pharmaceutical compositions containing these compounds, their use and processes for the preparation thereof BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2009-05-26 US disclosed
WO-2008152074-A1 HERBICIDALLY EFFECTIVE COMPOSITION BASF SE (DE) 2008-12-18 WO disclosed
US-20070244099-A1 CGRP Antagonists RUDOLF KLAUS 2007-10-18 US disclosed
US-7026312-B2 Substituted piperidines, pharmaceutical compositions containing these compounds, their use and processes for the preparation thereof BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2006-04-11 US disclosed
US-20050215546-A1 Novel substituted piperidines, pharmaceutical compositions containing these compounds, their use and processes for the preparation thereof BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2005-09-29 US disclosed
US-20030236282-A1 Novel substituted piperidines, pharmaceutical compositions containing these compounds, their use and processes for the preparation thereof BOEHRINGER INGELHEIM PHARMA GMBH & CO. (DE) 2003-12-25 US disclosed
US-5691356-A ANTICOAGULANTS BRISTOL-MYERS SQUIBB COMPANY (US) 1997-11-25 US disclosed
JP-H01128964-A NEW FLUORINATED DERIVATIVE OF AMINO ACID USEFUL PARTICULARLY AS SURFACTANT OR COSURFACTANT AND PREPARATION FOR BIOMEDICAL USE INCORPORATING THE DERIVATIVE APPL & TRANSFERTS DE TECHNOL AVANCEES ATTA 1989-05-22 JP 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 (7 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-20220348559-A1 BICYCLIC LACTAMS AND METHODS OF USE THEREOF LSS, LPXN, CYP1B1 AAK1 4329/4885PGR 3418/4885ADRA2A 2316/4885
US-10988459-B2 Bicyclic lactams and methods of use thereof LSS, LPXN, CYP1B1 AAK1 4329/4885PGR 3418/4885ADRA2A 2316/4885
US-20070244099-A1 CGRP Antagonists CALCRL, OPRL1, CALCA AAK1 1536/4885PGR 864/4885ADRA2A 80/4885
US-12281101-B2 Bicyclic lactams and methods of use thereof LSS, LPXN, CYP1B1 AAK1 4329/4885PGR 3418/4885ADRA2A 2316/4885
US-20030236282-A1 Novel substituted piperidines, pharmaceutical compositions containing these compounds, their use and processes for the preparation thereof P2RX5, CALCRL, ADRA1D AAK1 2595/4885PGR 1517/4885ADRA2A 33/4885
US-10835520-B2 Phenyl derivative S1PR2, S1PR1, S1PR3 AAK1 2761/4885PGR 1179/4885ADRA2A 62/4885
US-20050215546-A1 Novel substituted piperidines, pharmaceutical compositions containing these compounds, their use and processes for the preparation thereof P2RX3, P2RX5, P2RX2 AAK1 2942/4885PGR 958/4885ADRA2A 29/4885

“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.