SCHEMBL3459409

SCHEMBL3459409

COC(=O)/C1=C/c2cc(Br)ccc2NCCC1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.38
NR4A2 P43354 1/20 0.36
KDM4E B2RXH2 1/20 0.36
MAPT P10636 1/20 0.36
CA12 O43570 8/20 0.33
CA9 Q16790 8/20 0.33
F2 P00734 1/20 0.33
CA2 P00918 2/20 0.33
CTSL P07711 1/20 0.33
PRKCZ Q05513 1/20 0.33
SLC6A3 Q01959 1/20 0.33
CHRM3 P20309 1/20 0.33
PPARG P37231 1/20 0.32
PPARD Q03181 1/20 0.32
PPARA Q07869 1/20 0.32

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
SCHEMBL3459411 1.00 GAA (0.38) GAANR4A2KDM4EMAPTCA12
SCHEMBL3458675 0.96 NR4A2 (0.36) GAANR4A2KDM4EMAPTCA12
SCHEMBL3458674 0.96 NR4A2 (0.36) GAANR4A2KDM4EMAPTCA12
SCHEMBL6341328 0.92 NR4A2 (0.38) NR4A2CA12CA9F2CA2
SCHEMBL6614933 0.85 MAPT (0.40) GAAKDM4EMAPTCA12CA9
SCHEMBL5204894 0.79 NR4A2 (0.37) GAANR4A2MAPTCA12CA9
SCHEMBL5205301 0.79 GABRA1 (0.39) GAAKDM4EMAPT
SCHEMBL10529566 0.75 HSD17B3 (0.38) NR4A2MAPTCA12CA9CA2
SCHEMBL6349353 0.75 KDM4E (0.38) KDM4EMAPTCTSL
SCHEMBL24376093 0.75 CA12 (0.36) GAAKDM4EMAPTCA12CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3747881-B1 NITROGEN-CONTAINING BENZOHETEROCYCLE COMPOUND COMPRISING CARBOXYLIC ACID GROUP, PREPARATION METHOD AND USE THEREOF SICHUAN KELUN BIOTECH BIOPHARMACEUTICAL CO LTD (CN) 2023-08-23 EP disclosed
US-20230183221-A1 PYRIDINE DERIVATIVE AND APPLICATION THEREOF NICOYA THERAPEUTICS (SHANGHAI) CO., LTD (CN) 2023-06-15 US disclosed
US-20230002360-A1 Heterocycloalkyl compounds as CCR2 / CCR5 antagonists Wuxi Life Fountain Biotech Co., Ltd. (CN) 2023-01-05 US disclosed
EP-3988098-A1 HETEROCYCLO ALKYL COMPOUNDS USED AS CCR2/CCR5 ANTAGONIST Shenzhen Lingfang Biotech Co., Ltd (CN) 2022-04-27 EP disclosed
WO-2020207263-A1 BENZIMIDAZOLE COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF 四川科伦博泰生物医药股份有限公司 2020-10-15 WO disclosed
US-20200297700-A1 BICYCLIC COMPOUND, PRODUCTION AND USE THEREOF TOBIRA THERAPEUTICS INC (US) 2020-09-24 US disclosed
WO-2019149089-A1 NITROGEN-CONTAINING BENZOHETEROCYCLE COMPOUND COMPRISING CARBOXYLIC ACID GROUP, PREPARATION METHOD AND USE THEREOF 四川科伦博泰生物医药股份有限公司 2019-08-08 WO disclosed
US-20190038604-A1 BICYCLIC COMPOUND, PRODUCTION AND USE THEREOF TOBIRA THERAPEUTICS, INC. (US) 2019-02-07 US disclosed
US-20160008326-A1 BICYCLIC COMPOUND, PRODUCTION AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-01-14 US disclosed
US-8741943-B2 Bicyclic compound, production and use thereof TOBIRA THERAPEUTICS, INC. (US) 2014-06-03 US disclosed
US-8183273-B2 8-[4-(2-butoxyethoxy)phenyl]-1-isobutyl-N-[4-[[N-methyl-N-(tetrahydropyran-4-yl)amino]methyl]phenyl]-1,2,3,4-tetrahydro-1-benzazocine-5-carboxamide; HIV infectious diseases, chronic rheumatoid arthritis, autoimmune disease, allergic diseases, ischemic brain cell disease TOBIRA THERAPEUTICS, INC. (US) 2012-05-22 US disclosed
EP-2206702-A1 Bicyclic compound, production and use thereof Tobira Therapeutics, Inc. (US) 2010-07-14 EP disclosed
US-20090030032-A1 Bicyclic Compound, Production and Use Thereof TAKEDA CHEMICAL INDUSTRIES LTD. (JP) 2009-01-29 US disclosed
US-20080161287-A1 Bicyclic compound, production and use thereof TAKEDA PHARMACEUTICAL COMPANY, LTD (JP) 2008-07-03 US disclosed
US-7371772-B2 Bicyclic compound, production and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-05-13 US disclosed
EP-1889839-A1 Bicyclic compound, production and use as HIV inhibitors Takeda Pharmaceutical Company Limited (JP) 2008-02-20 EP disclosed
US-20040259876-A1 Bicyclic compound, production and use thereof TOBIRA THERAPEUTICS, INC. 2004-12-23 US disclosed
EP-1423376-A1 BICYCLIC COMPOUND, PRODUCTION AND USE THEREOF Takeda Chemical Industries, Ltd. (JP) 2004-06-02 EP disclosed
WO-2003014105-A9 BICYCLIC COMPOUND, PRODUCTION AND USE AS HIV INHIBITORS TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2003-11-20 WO disclosed
WO-2003014105-A1 BICYCLIC COMPOUND, PRODUCTION AND USE AS HIV INHIBITORS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2003-02-20 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 (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-20040259876-A1 Bicyclic compound, production and use thereof CCR5, CCR1, CCR2 GAA 4856/4885NR4A2 289/4885KDM4E 2986/4885
US-20090030032-A1 Bicyclic Compound, Production and Use Thereof CCR5, CCR1, CCR2 GAA 4845/4885NR4A2 265/4885KDM4E 2916/4885
US-20160008326-A1 BICYCLIC COMPOUND, PRODUCTION AND USE THEREOF CCR5, CCR1, CCR2 GAA 4847/4885NR4A2 262/4885KDM4E 2868/4885
US-20230002360-A1 Heterocycloalkyl compounds as CCR2 / CCR5 antagonists CCR2, CCR5, CCRL2 GAA 4290/4885NR4A2 469/4885KDM4E 4505/4885
US-20190038604-A1 BICYCLIC COMPOUND, PRODUCTION AND USE THEREOF CCR5, CCR1, CCR2 GAA 4845/4885NR4A2 265/4885KDM4E 2916/4885
US-20230183221-A1 PYRIDINE DERIVATIVE AND APPLICATION THEREOF XDH, CYP11B2, DPYD GAA 532/4885NR4A2 2069/4885KDM4E 1986/4885
US-20200297700-A1 BICYCLIC COMPOUND, PRODUCTION AND USE THEREOF CCR5, CCR1, CCR2 GAA 4845/4885NR4A2 265/4885KDM4E 2916/4885
US-20080161287-A1 Bicyclic compound, production and use thereof CCR5, CCR1, CCR2 GAA 4845/4885NR4A2 265/4885KDM4E 2916/4885

“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.