SCHEMBL626347

SCHEMBL626347

Clc1cc(Cl)cc(CN2CCNCC2)c1

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.61
SIGMAR1 Q99720 3/20 0.60
CXCR4 P61073 11/20 0.55
CHRM2 P08172 2/20 0.55
CHRM1 P11229 2/20 0.55
MEN1 O00255 1/20 0.55
ADRA2C P18825 1/20 0.55
CCR2 P41597 1/20 0.55
CXCL12 P48061 1/20 0.55
BLM P54132 1/20 0.55
KMT2A Q03164 1/20 0.55
TDP1 Q9NUW8 1/20 0.55
HRH3 Q9Y5N1 1/20 0.55
CHRM4 P08173 1/20 0.52
ADRB1 P08588 1/20 0.52
CHRM3 P20309 1/20 0.52

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
Hydrochloric Acid SCHEMBL17062037 0.98 L3MBTL1 (0.59) L3MBTL1SIGMAR1CXCR4CHRM2CHRM1
SCHEMBL18754036 0.88 CXCR4 (0.53) L3MBTL1SIGMAR1CXCR4CHRM2CHRM1
SCHEMBL28128523 0.82 CHRM2 (0.56) L3MBTL1SIGMAR1CXCR4CHRM2CHRM1
SCHEMBL28604803 0.82 SIGMAR1 (0.53) L3MBTL1SIGMAR1CXCR4CHRM2CHRM1
SCHEMBL29478520 0.82 SIGMAR1 (0.72) L3MBTL1SIGMAR1CXCR4CHRM2CHRM1
SCHEMBL1888148 0.82 SIGMAR1 (0.72) L3MBTL1SIGMAR1CXCR4CHRM2CHRM1
SCHEMBL208118 0.82 SIGMAR1 (0.68) SIGMAR1CXCR4CHRM2CHRM1MEN1
SCHEMBL5734193 0.82 SIGMAR1 (0.68) SIGMAR1CXCR4CHRM2CHRM1MEN1
Tert-Butyl Formate SCHEMBL28831465 0.81 SIGMAR1 (0.45) L3MBTL1SIGMAR1CXCR4CHRM2CHRM1
SCHEMBL18007045 0.81 L3MBTL1 (0.68) L3MBTL1SIGMAR1CXCR4TDP1HRH3

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
EP-2006271-A9 SUBSTITUTED BICYCLIC CYCLIC DERIVATIVE AND USE THEREOF Asahi Kasei Pharma Corporation (JP) 2009-07-29 EP claimed
US-20090054401-A1 Substituted bicyclic derivatives and use thereof ASAHI KASEI PHARMA CORPORATION (JP) 2009-02-26 US claimed
EP-2006271-A2 SUBSTITUTED BICYCLIC CYCLIC DERIVATIVE AND USE THEREOF Asahi Kasei Pharma Corporation (JP) 2008-12-24 EP claimed
WO-2023101326-A1 NOVEL COMPOUND AS AUTOTAXIN INHIBITOR AND USE THEREOF 주식회사 넥스트젠바이오사이언스 2023-06-08 WO disclosed
WO-2023101326-A1 NOVEL COMPOUND AS AUTOTAXIN INHIBITOR AND USE THEREOF 주식회사 넥스트젠바이오사이언스 2023-06-08 WO disclosed
US-20210093618-A1 SUBSTITUTED BENZAMIDES AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2021-04-01 US disclosed
US-10815197-B2 N-sulfonyl benzamides as voltage-gated sodium channel inhibitors SHANGHAI HAIYAN PHARMACEUTICAL TECHNOLOGY CO., LTD. (CN) 2020-10-27 US disclosed
US-20190023654-A1 N-SULFONYL BENZAMIDE DERIVATIVE WITH HETEROCYCLIC SUBSTITUENT, PREPARATION METHOD THEREFOR AND PHARMACEUTICAL APPLICATION THEREOF YANGTZE RIVER PHARMACEUTICAL GROUP CO., LTD. (CN) 2019-01-24 US disclosed
US-9694002-B2 Substituted benzamides and methods of use thereof GENENTECH, INC. (US) 2017-07-04 US disclosed
US-9694002-B2 Substituted benzamides and methods of use thereof GENENTECH, INC. (US) 2017-07-04 US disclosed
US-20170087136-A1 SUBSTITUTED BENZAMIDES AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2017-03-30 US disclosed
US-20120302728-A1 Actagardine Derivatives, and Pharmaceutical Use Thereof NOVACTA BIOSYSTEMS LIMITED (GB) 2012-11-29 US disclosed
WO-2012020219-A2 FORMULATIONS FOR INFUSION OF TYPE B LANTIBIOTICS NOVACTA BIOSYSTEMS LIMITED (GB) 2012-02-16 WO disclosed
EP-2393829-A1 ACTAGARDINE DERIVATIVES Novacta Biosystems Limited (GB) 2011-12-14 EP disclosed
US-20110294723-A1 Compounds NOVACTA BIOSYSTEMS LIMITED (GB) 2011-12-01 US disclosed
WO-2011095769-A1 ACTAGARDINE DERIVATIVES, AND PHARMACEUTICAL USE THEREOF NOVACTA BIOSYSTEMS LIMITED (GB) 2011-08-11 WO disclosed
WO-2010089544-A1 ACTAGARDINE DERIVATIVES NOVACTA BIOSYSTEMS LIMITED (GB) 2010-08-12 WO disclosed
EP-2006271-A9 SUBSTITUTED BICYCLIC CYCLIC DERIVATIVE AND USE THEREOF Asahi Kasei Pharma Corporation (JP) 2009-07-29 EP disclosed
US-20090054401-A1 Substituted bicyclic derivatives and use thereof ASAHI KASEI PHARMA CORPORATION (JP) 2009-02-26 US disclosed
EP-2006271-A2 SUBSTITUTED BICYCLIC CYCLIC DERIVATIVE AND USE THEREOF Asahi Kasei Pharma Corporation (JP) 2008-12-24 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 (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-20090054401-A1 Substituted bicyclic derivatives and use thereof LTB4R2, LTC4S, LTB4R L3MBTL1 2903/4885SIGMAR1 480/4885CXCR4 190/4885
US-20120302728-A1 Actagardine Derivatives, and Pharmaceutical Use Thereof GALR2, GALR1, GALR3 L3MBTL1 2910/4885SIGMAR1 789/4885CXCR4 1622/4885
US-20110294723-A1 Compounds SLC11A2, SDHA, SDHB L3MBTL1 4346/4885SIGMAR1 1869/4885CXCR4 2569/4885
US-20210093618-A1 SUBSTITUTED BENZAMIDES AND METHODS OF USE THEREOF BRIX1, RDX, SULT2A1 L3MBTL1 3583/4885SIGMAR1 469/4885CXCR4 1192/4885
US-10815197-B2 N-sulfonyl benzamides as voltage-gated sodium channel inhibitors SCN11A, SCN8A, NHERF1 L3MBTL1 3869/4885SIGMAR1 1511/4885CXCR4 2307/4885
US-20190023654-A1 N-SULFONYL BENZAMIDE DERIVATIVE WITH HETEROCYCLIC SUBSTITUENT, PREPARATION METHOD THEREFOR AND PHARMACEUTICAL APPLICATION THEREOF SLC5A11, SLC6A11, SLC5A1 L3MBTL1 4349/4885SIGMAR1 1738/4885CXCR4 1549/4885
US-20170087136-A1 SUBSTITUTED BENZAMIDES AND METHODS OF USE THEREOF C1R, SRR, PNISR L3MBTL1 3512/4885SIGMAR1 141/4885CXCR4 518/4885

“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.