SCHEMBL9543983

SCHEMBL9543983

COC(=O)CNCCCc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 4/20 0.58
L3MBTL1 Q9Y468 1/20 0.51
KMT2A Q03164 2/20 0.51
CYP2D6 P10635 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
POLB P06746 1/20 0.51
DRD2 P14416 1/20 0.50
DRD4 P21917 1/20 0.50
DRD3 P35462 1/20 0.50
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
CA12 O43570 1/20 0.50
CA7 P43166 1/20 0.50
CA9 Q16790 1/20 0.50
CA14 Q9ULX7 1/20 0.50
GAA P10253 1/20 0.50
HPGD P15428 1/20 0.50
S1PR1 P21453 1/20 0.50
S1PR3 Q99500 1/20 0.50

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
SCHEMBL5695106 0.95 SIGMAR1 (0.58) SIGMAR1L3MBTL1S1PR1S1PR3LTA4H
SCHEMBL7246282 0.90 CA12 (0.56) SIGMAR1KMT2ACYP2D6NPC1RAB9A
SCHEMBL8015490 0.86 LTA4H (0.66) SIGMAR1KMT2APOLBHPGDLTA4H
SCHEMBL19438565 0.85 SIGMAR1 (0.61) SIGMAR1L3MBTL1KMT2ADRD2DRD4
SCHEMBL7138314 0.84 POLB (0.54) SIGMAR1L3MBTL1KMT2ACYP2D6CYP2C9
SCHEMBL19438777 0.84 SIGMAR1 (0.59) SIGMAR1L3MBTL1CA12CA7CA9
Hydrochloric Acid SCHEMBL19438468 0.83 SIGMAR1 (0.58) SIGMAR1L3MBTL1CA12CA7CA9
SCHEMBL4932073 0.83 SIGMAR1 (0.62) SIGMAR1CA12CA7CA9CA14
SCHEMBL158734 0.82 SIGMAR1 (0.67) SIGMAR1L3MBTL1NPC1RAB9AGAA
SCHEMBL4847545 0.81 LTA4H (0.67) SIGMAR1KMT2AHPGDLTA4H

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190119200-A1 TERTIARY AMIDES AND METHOD OF USE ABBVIE PHARMACEUTICAL TRADING (SHANGHAI) CO., LTD. (CN) 2019-04-25 US disclosed
WO-2017177004-A1 TERTIARY AMIDES AND METHOD OF USE ABBVIE INC. (US) 2017-10-12 WO disclosed
CN-103228621-B Labeling reagent, and method for sequencing and quantifying polypeptide and protein using same 浦项工科大学校产学协力团 2016-06-15 CN disclosed
US-8809012-B2 Labeling agent and methods for simultaneous sequencing and quantification of multiple peptides and proteins using the same Postach Academy-Industry Foundation (KR) 2014-08-19 US disclosed
CN-103228621-A Labeling reagent, and amino acid sequence and protein multiplex quantitative simultaneous analysis method using same POSTECH ACAD IND FOUND 2013-07-31 CN disclosed
US-20130183704-A1 Labeling Agent and Methods for Simultaneous Sequencing and Quantification of Multiple Peptides and Proteins Using the Same POSTECH ACADEMY-INDUSTRY FOUNDATION (KR) 2013-07-18 US disclosed
EP-2610243-A2 LABELING AGENT AND AMINO ACID SEQUENCE USING SAME, AND METHOD FOR PERFORMING SIMULTANEOUS QUANTITATIVE ANALYSIS OF MULTIPLE PROTEINS Postech Academy-industry Foundation (KR) 2013-07-03 EP disclosed
WO-1993020099-A2 CCK AND/OR GASTRIN RECEPTOR LIGANDS FERRING B.V. (NL) 1993-10-14 WO 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-20130183704-A1 Labeling Agent and Methods for Simultaneous Sequencing and Quantification of Multiple Peptides and Proteins Using the Same YWHAQ, IAPP, RPS27A SIGMAR1 4628/4885L3MBTL1 1405/4885KMT2A 946/4885
US-20190119200-A1 TERTIARY AMIDES AND METHOD OF USE LPAR1, LPAR3, LPAR2 SIGMAR1 233/4885L3MBTL1 604/4885KMT2A 1886/4885

“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.