SCHEMBL652087

SCHEMBL652087

OC1(c2ccccc2Cl)CCNCC1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.57
DRD2 P14416 4/20 0.52
DRD4 P21917 1/20 0.45
DRD3 P35462 1/20 0.45
OPRM1 P35372 4/20 0.44
OPRD1 P41143 2/20 0.44
OPRK1 P41145 2/20 0.44
OPRL1 P41146 2/20 0.44
HDAC4 P56524 1/20 0.41
ADRB1 P08588 1/20 0.40
GRIN1 Q05586 1/20 0.39
GRIN2A Q12879 1/20 0.39
EPHB3 P54753 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
HTR2C P28335 3/20 0.37
HTR2B P41595 2/20 0.37
HTR2A P28223 2/20 0.37
SLC6A2 P23975 1/20 0.37
SLC6A4 P31645 1/20 0.37

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
SCHEMBL8086598 0.89 SIGMAR1 (0.46) SIGMAR1DRD2DRD4DRD3OPRM1
Hydrochloric Acid SCHEMBL3551702 0.87 SIGMAR1 (0.45) SIGMAR1DRD2DRD4DRD3OPRM1
SCHEMBL3266597 0.86 SIGMAR1 (0.51) SIGMAR1DRD2DRD4DRD3OPRM1
SCHEMBL1513548 0.85 SIGMAR1 (0.50) SIGMAR1DRD2DRD4DRD3OPRM1
SCHEMBL2267923 0.82 SIGMAR1 (0.51) SIGMAR1DRD2DRD4DRD3OPRM1
SCHEMBL2270695 0.82 SIGMAR1 (0.47) SIGMAR1DRD2DRD4DRD3OPRM1
SCHEMBL4703446 0.82 SIGMAR1 (0.48) SIGMAR1DRD2OPRM1OPRD1OPRK1
SCHEMBL27035066 0.82 HDAC4 (0.49) SIGMAR1DRD2DRD4DRD3OPRM1
SCHEMBL1660350 0.82 SIGMAR1 (0.62) SIGMAR1DRD2OPRM1HTR2CHTR2A
SCHEMBL1513275 0.80 DRD2 (0.55) SIGMAR1DRD2DRD3OPRM1OPRD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3041841-B1 TRIAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF HOFFMANN LA ROCHE (CH) 2019-06-05 EP disclosed
US-9873709-B2 Triazolopyridine compounds, compositions and methods of use thereof GENENTECH, INC. (US) 2018-01-23 US disclosed
US-20170226132-A1 TRIAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2017-08-10 US disclosed
US-9663537-B2 Chemokine receptor antagonists and methods of use MILLENNIUM PHARMACEUTICALS, INC. (US) 2017-05-30 US disclosed
US-20160031908-A1 CHEMOKINE RECEPTOR ANTAGONISTS AND METHODS OF USE THEREOF KYOWA HAKKO KOGYO CO., LTD. (JP) 2016-02-04 US disclosed
EP-1714961-B1 INDAZOLE COMPOUND AND PHARMACEUTICAL USE THEREOF MITSUBISHI TANABE PHARMA CORP (JP) 2015-12-09 EP disclosed
EP-2477983-B1 (4-PHENYL-PIPERIDIN-1-YL)-[5-1H-PYRAZOL-4YL)-THIOPHEN-3-YL]-METHANONE COMPOUNDS AND THEIR USE UNIV EDINBURGH (GB) 2015-04-15 EP disclosed
EP-2477983-B1 (4-PHENYL-PIPERIDIN-1-YL)-[5-1H-PYRAZOL-4YL)-THIOPHEN-3-YL]-METHANONE COMPOUNDS AND THEIR USE UNIV EDINBURGH (GB) 2015-04-15 EP disclosed
US-20140371207-A1 CHEMOKINE RECEPTOR ANTAGONISTS AND METHODS OF USE THEREOF KYOWA HAKKO KIRIN CO., LTD. (JP) 2014-12-18 US disclosed
CN-104031054-A Chemokine receptor antagonists and methods of use thereof MILLENNIUM PHARM INC 2014-09-10 CN disclosed
US-20030045516-A1 Chemokine receptor antagonists and methods of use therefor MILLENNIUM PHARMACEUTICALS, INC. 2003-03-06 US disclosed
US-6509346-B2 Antiinflammatory agents MILLENNIUM PHARMACEUTICALS, INC. 2003-01-21 US disclosed
US-20020169155-A1 A nitrogen-ring containing triheterocyclic compound is useful for treating a disease associated with aberrant leukocyte recruitment and/or activation MILLENNIUM PHARMACEUTICALS, INC. 2002-11-14 US disclosed
US-20020119973-A1 CHEMOKINE RECEPTOR ANTAGONISTS AND METHODS OF USE THEREFOR MILLENNIUM PHARMACEUTICALS, INC. 2002-08-29 US disclosed
EP-1204665-A2 CHEMOKINE RECEPTOR ANTAGONISTS AND METHODS OF USE THEREFOR Millennium Pharmaceuticals, Inc. (US) 2002-05-15 EP disclosed
US-6329385-B1 ANTIINFLAMMATORY AGENTS, ANTIARTHRITIC AGENTS, VIRAL DISEASES AND GASTROINTESTINAL DISORDERS MILLENNIUM PHARMACEUTICALS, INC. 2001-12-11 US disclosed
WO-2001009138-A2 CHEMOKINE RECEPTOR ANTAGONISTS AND METHODS OF USE THEREFOR MILLENNIUM PHARMACEUTICALS, INC. (US) 2001-02-08 WO disclosed
EP-1049700-A1 CHEMOKINE RECEPTOR ANTAGONISTS AND METHODS OF USE THEREFOR Millennium Pharmaceuticals, Inc. (US) 2000-11-08 EP disclosed
WO-1999037651-A1 CHEMOKINE RECEPTOR ANTAGONISTS AND METHODS OF USE THEREFOR MILLENIUM PHARMACEUTICALS, INC. (US) 1999-07-29 WO disclosed
US-4016281-A Tetralone and indanone compounds MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DT) 1977-04-05 US 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 (6 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-20020119973-A1 CHEMOKINE RECEPTOR ANTAGONISTS AND METHODS OF USE THEREFOR CCL11, ACKR3, CXCR4 SIGMAR1 740/4885DRD2 3688/4885DRD4 4403/4885
US-20020169155-A1 A nitrogen-ring containing triheterocyclic compound is useful for treating a disease associated with aberrant leukocyte recruitment and/or activation NFATC1, ELANE, NCF1 SIGMAR1 2424/4885DRD2 4501/4885DRD4 4368/4885
US-20160031908-A1 CHEMOKINE RECEPTOR ANTAGONISTS AND METHODS OF USE THEREOF ACKR3, CCR2, CXCR2 SIGMAR1 483/4885DRD2 3118/4885DRD4 3686/4885
US-20140371207-A1 CHEMOKINE RECEPTOR ANTAGONISTS AND METHODS OF USE THEREOF ACKR3, CCR2, CXCR2 SIGMAR1 483/4885DRD2 3118/4885DRD4 3686/4885
US-20170226132-A1 TRIAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF ABL1, JAK2, JAK1 SIGMAR1 1063/4885DRD2 4124/4885DRD4 4544/4885
US-20030045516-A1 Chemokine receptor antagonists and methods of use therefor CCL11, ACKR3, CXCR4 SIGMAR1 731/4885DRD2 3720/4885DRD4 4368/4885

“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.