SCHEMBL10107202

SCHEMBL10107202

CCN(C)C(=O)OCc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.56
BCHE P06276 3/20 0.53
ACHE P22303 2/20 0.53
MAPT P10636 1/20 0.51
HPGD P15428 1/20 0.51
MAPK1 P28482 2/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
TDP1 Q9NUW8 2/20 0.50
SLC6A2 P23975 1/20 0.50
SLC6A3 Q01959 1/20 0.50
KMT2A Q03164 1/20 0.50
SIGMAR1 Q99720 1/20 0.47
ABCB1 P08183 1/20 0.47
CHRNB2 P17787 1/20 0.47
CHRNB4 P30926 1/20 0.47
CHRNA3 P32297 1/20 0.47
CHRNA4 P43681 1/20 0.47
CYP3A4 P08684 1/20 0.46
TSHR P16473 1/20 0.46
LMNA P02545 1/20 0.46

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
SCHEMBL11313948 0.92 BCHE (0.51) ALDH1A1BCHEACHEMAPTHPGD
SCHEMBL7367495 0.87 ALDH1A1 (0.58) ALDH1A1MAPTHPGDMAPK1L3MBTL1
SCHEMBL2724661 0.86 ALDH1A1 (0.53) ALDH1A1ACHEMAPTHPGDMAPK1
SCHEMBL13687204 0.86 CHRNB2 (0.61) ALDH1A1MAPTHPGDMAPK1L3MBTL1
SCHEMBL16015346 0.86 PRSS1 (0.48) ALDH1A1BCHEACHEMAPTHPGD
SCHEMBL24062673 0.84 PRSS1 (0.47) ALDH1A1BCHEACHEMAPT
SCHEMBL7465320 0.84 ALDH1A1 (0.55) ALDH1A1MAPTHPGDMAPK1L3MBTL1
SCHEMBL17688549 0.84 ALDH1A1 (0.55) ALDH1A1MAPTHPGDMAPK1L3MBTL1
SCHEMBL316882 0.84 ALDH1A1 (0.55) ALDH1A1MAPTHPGDMAPK1L3MBTL1
SCHEMBL15479668 0.84 ALDH1A1 (0.58) ALDH1A1MAPTHPGDMAPK1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022100625-A1 NITROGEN-SUBSTITUTED AMINOCARBONATE THIOPHENE COMPOUND AND USE THEREOF 武汉人福创新药物研发中心有限公司 2022-05-19 WO disclosed
WO-2022049604-A1 PROCESS FOR PREPARING REVEFENACIN AND INTERMEDIATES THEROF CIPLA LIMITED (IN) 2022-03-10 WO disclosed
EP-3912974-A1 TRIAZOLE COMPOUNDS, AND PREPARATION METHOD THEREOF AND USE Wuhan LL Science And Technology Development Co., Ltd. (CN) 2021-11-24 EP disclosed
EP-3341007-B1 MALT1 INHIBITORS AND USES THEREOF UNIV CORNELL (US) 2020-12-23 EP disclosed
EP-3359541-B1 N-SULFONYLATED PYRAZOLO[3,4-B]PYRIDIN-6-CARBOXAMIDES AND METHOD OF USE ABBVIE OVERSEAS SARL (LU) 2020-08-05 EP disclosed
WO-2020147740-A1 TRIAZOLE COMPOUNDS, AND PREPARATION METHOD THEREOF AND USE 武汉朗来科技发展有限公司 2020-07-23 WO disclosed
US-9996003-B2 Active-light-sensitive or radiation-sensitive resin composition, pattern forming method, and method for manufacturing electronic device FUJIFILM CORPORATION (JP) 2018-06-12 US disclosed
WO-2017190107-A1 SIGMA RECEPTOR BINDERS BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2017-11-02 WO disclosed
WO-2017060874-A1 N-SULFONYLATED PYRAZOLO[3,4-B]PYRIDIN-6-CARBOXAMIDES AND METHOD OF USE ABBVIE S.Á.R.L (LU) 2017-04-13 WO disclosed
WO-2014151030-A1 CELL PROLIFERATION INHIBITORS AND CONJUGATES THEREOF NOVARTIS AG (CH) 2014-09-25 WO disclosed
US-20090170755-A1 Cyclic Peptide Compounds ASTELLAS PHARMA INC. (JP) 2009-07-02 US disclosed
US-7534784-B2 ligands for Calcitonin gene related peptide; azepinone ligands; migranes; N-[5-(2,3-Difluorophenyl)-1-(2-methoxyethyl)-2-oxopiperidin-3-yl]-4-(2-oxo-2,3-dihydro-1H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide MERCK + CO., INC. (US) 2009-05-19 US disclosed
US-7528140-B2 Substituted pyrrolo[3,2-d]pyrimidines as glycogen synthase kinase (GSK) inhibitors TEIJIN LIMITED (JP) 2009-05-05 US disclosed
US-7452903-B2 CGRP receptor antagonists MERCK & CO., INC. (US) 2008-11-18 US disclosed
US-20080280857-A1 CGRP receptor antagonists MERCK SHARP & DOHME LLC 2008-11-13 US disclosed
US-20080090806-A1 Cgrp Receptor Antagonists MERCK SHARP & DOHME LLC 2008-04-17 US disclosed
US-20070225272-A1 CGRP receptor antagonists MERCK SHARP & DOHME LLC 2007-09-27 US disclosed
US-7271172-B2 Pyrrolidine and azetidine compounds as CCR5 antagonists SMITHKLINE BEECHAM CORPORATION (US) 2007-09-18 US disclosed
US-7235545-B2 CGRP receptor antagonists MERCK & CO., INC. (US) 2007-06-26 US disclosed
EP-0311012-A2 Glaucoma treatment ABBOTT LABORATORIES (US) 1989-04-12 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 (4 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-20090170755-A1 Cyclic Peptide Compounds VIP, HAVCR2, EIF2AK2 ALDH1A1 4829/4885BCHE 2650/4885ACHE 4844/4885
US-20080090806-A1 Cgrp Receptor Antagonists CCKBR, BDKRB1, BDKRB2 ALDH1A1 3531/4885BCHE 886/4885ACHE 793/4885
US-20070225272-A1 CGRP receptor antagonists CCKBR, BDKRB1, BDKRB2 ALDH1A1 3512/4885BCHE 925/4885ACHE 829/4885
US-20080280857-A1 CGRP receptor antagonists CCKBR, BDKRB1, BDKRB2 ALDH1A1 3512/4885BCHE 925/4885ACHE 829/4885

“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.