SCHEMBL654491

SCHEMBL654491

Clc1ccc(COC2CCNC2)cc1

nearest known ligand 0.68

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 7/20 0.60
SLC6A2 P23975 5/20 0.60
SLC6A3 Q01959 5/20 0.60
KCNH2 Q12809 4/20 0.60
REN P00797 2/20 0.53
HTR2C P28335 5/20 0.51
HTR2B P41595 5/20 0.51
HTR3A P46098 2/20 0.48
HTR2A P28223 1/20 0.48
HTR7 P34969 1/20 0.48
HTR4 Q13639 1/20 0.48
CHRM2 P08172 2/20 0.47
CHRM1 P11229 2/20 0.47
CHRM3 P20309 2/20 0.47
CHRNB2 P17787 1/20 0.47
CHRNA4 P43681 1/20 0.47
CARM1 Q86X55 1/20 0.46
PRMT6 Q96LA8 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
SCHEMBL654490 1.00 SLC6A4 (0.60) SLC6A4SLC6A2SLC6A3KCNH2REN
SCHEMBL654966 1.00 SLC6A4 (0.60) SLC6A4SLC6A2SLC6A3KCNH2REN
Hydrochloric Acid SCHEMBL5811325 0.98 SLC6A4 (0.58) SLC6A4SLC6A2SLC6A3KCNH2REN
Formic Acid SCHEMBL31071560 0.91 SLC6A4 (0.52) SLC6A4SLC6A2SLC6A3KCNH2REN
SCHEMBL13886623 0.90 CHRNB2 (0.58) SLC6A4SLC6A2SLC6A3KCNH2REN
SCHEMBL4471193 0.90 SLC6A4 (0.58) SLC6A4SLC6A2SLC6A3KCNH2REN
Hydrochloric Acid SCHEMBL19921391 0.88 SLC6A4 (0.56) SLC6A4SLC6A2SLC6A3KCNH2REN
SCHEMBL2069846 0.86 CHRNB2 (0.54) SLC6A4SLC6A2SLC6A3KCNH2REN
SCHEMBL17460169 0.86 SLC6A4 (0.56) SLC6A4SLC6A2SLC6A3RENHTR2C
SCHEMBL21638189 0.83 SLC6A4 (0.74) SLC6A4SLC6A2SLC6A3KCNH2HTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023147571-A2 SELECTIVE AGENTS TARGETING MYCOBACTERIUM TUBERCULOSIS UNIVERSITY OF MISSISSIPPI (US) 2023-08-03 WO disclosed
US-11446398-B2 Regulated biocircuit systems OBSIDIAN THERAPEUTICS, INC. (US) 2022-09-20 US disclosed
US-9663537-B2 Chemokine receptor antagonists and methods of use MILLENNIUM PHARMACEUTICALS, INC. (US) 2017-05-30 US disclosed
EP-1688418-B1 Chemokine receptor antagonists and methods of use thereof MILLENNIUM PHARM INC (US) 2017-03-15 EP disclosed
US-20160031908-A1 CHEMOKINE RECEPTOR ANTAGONISTS AND METHODS OF USE THEREOF KYOWA HAKKO KOGYO CO., LTD. (JP) 2016-02-04 US disclosed
US-20140371207-A1 CHEMOKINE RECEPTOR ANTAGONISTS AND METHODS OF USE THEREOF KYOWA HAKKO KIRIN CO., LTD. (JP) 2014-12-18 US disclosed
EP-1950198-B1 PROCESS FOR PRODUCTION OF BENZYLOXYPYRROLIDINE DERIVATIVE, AND PROCESS FOR PRODUCTION OF HYDROCHLORIDE SALT POWDER OF OPTICALLY ACTIVE BENZYLOXYPYRROLIDINE DERIVATIVE TORAY FINECHEMICALS CO LTD (JP) 2014-08-06 EP disclosed
US-8653096-B2 Chemokine receptor antagonists and methods of use thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-02-18 US disclosed
CN-101300228-B Process for production of benzyloxypyrrolidine derivative, and process for production of hydrochloride salt powder of optically active benzyloxypyrrolidine derivative TORAY FINECHEMICALS CO LTD 2013-05-08 CN disclosed
US-20120046311-A1 CHEMOKINE RECEPTOR ANTAGONISTS AND METHODS OF USE THEREOF KYOWA HAKKO KOGYO CO., LTD. (JP) 2012-02-23 US disclosed
CN-1426393-A Novel compounds ASTRAZENECA AB (SE) 2003-06-25 CN disclosed
CN-1426394-A Novel compounds ASTRAZENECA AB (SE) 2003-06-25 CN disclosed
CN-1426412-A Novel compounds ASTRAZENECA AB (SE) 2003-06-25 CN disclosed
WO-2003045942-A2 CHEMOKINE RECEPTOR ANTAGONISTS AND METHODS OF USE THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2003-06-05 WO disclosed
EP-1263760-A1 NOVEL COMPOUNDS AstraZeneca AB (SE) 2002-12-11 EP disclosed
EP-1263725-A1 NOVEL COMPOUNDS AstraZeneca AB (SE) 2002-12-11 EP disclosed
EP-1263724-A1 NOVEL COMPOUNDS AstraZeneca AB (SE) 2002-12-11 EP disclosed
WO-2001062757-A1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2001-08-30 WO disclosed
WO-2001062729-A1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2001-08-30 WO disclosed
WO-2001062728-A1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2001-08-30 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 (3 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-20120046311-A1 CHEMOKINE RECEPTOR ANTAGONISTS AND METHODS OF USE THEREOF ACKR3, CCR2, CXCR2 SLC6A4 1469/4885SLC6A2 976/4885SLC6A3 1141/4885
US-20160031908-A1 CHEMOKINE RECEPTOR ANTAGONISTS AND METHODS OF USE THEREOF ACKR3, CCR2, CXCR2 SLC6A4 1469/4885SLC6A2 976/4885SLC6A3 1141/4885
US-20140371207-A1 CHEMOKINE RECEPTOR ANTAGONISTS AND METHODS OF USE THEREOF ACKR3, CCR2, CXCR2 SLC6A4 1469/4885SLC6A2 976/4885SLC6A3 1141/4885

“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.