SCHEMBL188283

SCHEMBL188283

OCC1(c2ccc(Cl)cc2)CCNCC1

nearest known ligand 0.60

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 13/20 0.60
SLC6A2 P23975 12/20 0.60
DRD2 P14416 2/20 0.59
DRD4 P21917 1/20 0.45
DRD3 P35462 1/20 0.45
SLC6A3 Q01959 5/20 0.44
AKT1 P31749 1/20 0.44
AKT2 P31751 1/20 0.44
AKT3 Q9Y243 1/20 0.44
TACR1 P25103 2/20 0.42

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
SCHEMBL3615305 0.86 SLC6A4 (0.52) SLC6A4SLC6A2DRD2DRD4DRD3
SCHEMBL21214442 0.86 DRD2 (0.56) SLC6A4SLC6A2DRD2SLC6A3AKT1
Tert-Butyl Formate SCHEMBL28831310 0.83 SLC6A2 (0.46) SLC6A4SLC6A2DRD2DRD4DRD3
SCHEMBL5873448 0.82 SLC6A4 (0.63) SLC6A4SLC6A2DRD2DRD4DRD3
SCHEMBL2129 0.82 SLC6A4 (0.58) SLC6A4SLC6A2DRD2DRD4DRD3
SCHEMBL8042316 0.81 DRD2 (0.55) SLC6A4SLC6A2DRD2SLC6A3AKT1
SCHEMBL3485923 0.81 SLC6A3 (0.68) SLC6A4SLC6A2DRD2SLC6A3AKT2
SCHEMBL16771203 0.81 SLC6A4 (0.53) SLC6A4SLC6A2DRD2SLC6A3TACR1
SCHEMBL1038938 0.81 TACR1 (0.56) SLC6A4SLC6A2TACR1
SCHEMBL28438976 0.81 SLC6A4 (0.67) SLC6A4SLC6A2DRD2DRD4DRD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190337946-A1 TRIAZOLOPYRIDINE COMPOUNDS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2019-11-07 US disclosed
US-20190233441-A1 TRIAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2019-08-01 US disclosed
US-20190233441-A1 TRIAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2019-08-01 US disclosed
EP-3041841-B1 TRIAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF HOFFMANN LA ROCHE (CH) 2019-06-05 EP disclosed
EP-3041841-B1 TRIAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF HOFFMANN LA ROCHE (CH) 2019-06-05 EP disclosed
US-20180327402-A1 TRIAZOLOPYRIDINE COMPOUNDS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2018-11-15 US disclosed
US-20180298033-A1 TRIAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2018-10-18 US disclosed
US-20180086757-A1 TRIAZOLOPYRIDINE COMPOUNDS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2018-03-29 US disclosed
US-20180086757-A1 TRIAZOLOPYRIDINE COMPOUNDS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2018-03-29 US disclosed
US-9873709-B2 Triazolopyridine compounds, compositions and methods of use thereof GENENTECH, INC. (US) 2018-01-23 US disclosed
WO-2007044804-A2 PIPERIDINE DERIVATIVES AND METHODS OF USE CHEMOCENTRYX, INC. (US) 2007-04-19 WO disclosed
US-20070088036-A1 Piperidine derivatives and methods of use CHEMOCENTRYX, INC. (US) 2007-04-19 US disclosed
US-20070060592-A1 heterocylic amines such as 2-(5-{3-[4-(4-Chloro-2-methyl-phenyl)-piperazin-1-yl]-propylidene}-5,11-dihydro-10-oxa-1-aza-dibenzo[a,d]cyclohepten-7-yl)-propan-2-ol, used for treating diseases associated with aberrant leukocyte recruitment and/or activation MILLENNIUM PHARMACEUTICALS, INC. 2007-03-15 US disclosed
EP-1688418-A2 Chemokine receptor antagonists and methods of use thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2006-08-09 EP disclosed
US-20050245572-A1 Naphthyl ether compounds and their use OLINK AB (SE) 2005-11-03 US disclosed
EP-1546101-A1 NAPHTHYL ETHER COMPOUNDS AND THEIR USE AstraZeneca AB (SE) 2005-06-29 EP disclosed
US-20050070549-A1 Chemokine receptor antagonists and methods of use thereof KYOWA HAKKO KOGYO CO., LTD. (JP) 2005-03-31 US disclosed
EP-1448566-A2 CHEMOKINE RECEPTOR ANTAGONISTS AND METHODS OF USE THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2004-08-25 EP disclosed
WO-2004022539-A1 NAPHTHYL ETHER COMPOUNDS AND THEIR USE ASTRAZENECA AB (SE) 2004-03-18 WO disclosed
WO-2003045942-A2 CHEMOKINE RECEPTOR ANTAGONISTS AND METHODS OF USE THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2003-06-05 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 (9 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-20190337946-A1 TRIAZOLOPYRIDINE COMPOUNDS AND METHODS OF USE THEREOF JAK1, JAK2, JAK3 SLC6A4 3286/4885SLC6A2 2709/4885DRD2 1593/4885
US-20050070549-A1 Chemokine receptor antagonists and methods of use thereof ACKR3, CXCR2, CCL11 SLC6A4 1806/4885SLC6A2 1174/4885DRD2 3542/4885
US-20180298033-A1 TRIAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF ABL1, JAK2, JAK1 SLC6A4 2749/4885SLC6A2 2668/4885DRD2 4124/4885
US-20190233441-A1 TRIAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF ABL1, JAK2, JAK1 SLC6A4 2749/4885SLC6A2 2668/4885DRD2 4124/4885
US-20070088036-A1 Piperidine derivatives and methods of use CCR1, CCR3, CCR4 SLC6A4 3768/4885SLC6A2 4530/4885DRD2 613/4885
US-20180086757-A1 TRIAZOLOPYRIDINE COMPOUNDS AND METHODS OF USE THEREOF JAK1, JAK2, JAK3 SLC6A4 3188/4885SLC6A2 2453/4885DRD2 1347/4885
US-20050245572-A1 Naphthyl ether compounds and their use NR4A1, NPM1, H1-4 SLC6A4 3111/4885SLC6A2 2909/4885DRD2 1039/4885
US-20180327402-A1 TRIAZOLOPYRIDINE COMPOUNDS AND METHODS OF USE THEREOF JAK1, JAK2, JAK3 SLC6A4 3188/4885SLC6A2 2453/4885DRD2 1347/4885
US-20070060592-A1 heterocylic amines such as 2-(5-{3-[4-(4-Chloro-2-methyl-phenyl)-piperazin-1-yl]-propylidene}-5,11-dihydro-10-oxa-1-aza-dibenzo[a,d]cyclohepten-7-yl)-propan-2-ol, used for treating diseases associated with aberrant leukocyte recruitment and/or activation THPO, NFATC1, HPGDS SLC6A4 2821/4885SLC6A2 1634/4885DRD2 1061/4885

“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.