SCHEMBL16554261

SCHEMBL16554261

N#CCC1(c2ccc(Cl)cc2)CCNCC1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.50
AKT1 P31749 2/20 0.41
AKT2 P31751 2/20 0.41
AKT3 Q9Y243 2/20 0.41
SLC6A4 P31645 8/20 0.41
SLC6A3 Q01959 4/20 0.41
TACR1 P25103 4/20 0.40
SLC6A2 P23975 5/20 0.39
OPRM1 P35372 2/20 0.36
CYP3A4 P08684 1/20 0.36
PRKACA P17612 1/20 0.36
PRKACG P22612 1/20 0.36
PRKACB P22694 1/20 0.36
CYP2C19 P33261 1/20 0.36
KCNH2 Q12809 2/20 0.35
USP2 O75604 1/20 0.34

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
Tert-Butyl Formate SCHEMBL28077874 0.84 DRD2 (0.38) DRD2AKT1AKT2AKT3SLC6A4
SCHEMBL15863219 0.84 SLC6A3 (0.58) SLC6A4SLC6A3SLC6A2OPRM1
SCHEMBL2767 0.84 SLC6A4 (0.53) SLC6A4SLC6A3SLC6A2OPRM1CYP3A4
SCHEMBL16553955 0.84 DRD2 (0.47) DRD2AKT1AKT2AKT3SLC6A4
SCHEMBL5147525 0.83 OPRM1 (0.55) SLC6A4TACR1OPRM1KCNH2
Hydrochloric Acid SCHEMBL31491278 0.81 SLC6A4 (0.42) DRD2SLC6A4SLC6A3SLC6A2OPRM1
SCHEMBL19226377 0.79 SLC6A3 (0.49) SLC6A4SLC6A3SLC6A2
SCHEMBL16553950 0.79 SLC6A4 (0.41) SLC6A4SLC6A3SLC6A2OPRM1
SCHEMBL21078138 0.78 OPRM1 (0.41) DRD2AKT2SLC6A4SLC6A3SLC6A2
SCHEMBL19226369 0.78 OPRM1 (0.59) SLC6A4TACR1OPRM1KCNH2

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-20180298033-A1 TRIAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2018-10-18 US disclosed
US-9873709-B2 Triazolopyridine compounds, compositions and methods of use thereof GENENTECH, INC. (US) 2018-01-23 US 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-20170226132-A1 TRIAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2017-08-10 US disclosed
EP-3041841-A1 TRIAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF F. Hoffmann-La Roche AG (CH) 2016-07-13 EP disclosed
CN-105745209-A Triazolopyridine compounds, compositions, and methods of use thereof 豪夫迈·罗氏有限公司 2016-07-06 CN disclosed
US-20160185780-A1 TRIAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2016-06-30 US disclosed
US-20160185780-A1 TRIAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2016-06-30 US disclosed
WO-2015032286-A1 TRIAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF F.HOFFMANN-LA ROCHE AG (CH) 2015-03-12 WO disclosed
WO-2015032286-A1 TRIAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF F.HOFFMANN-LA ROCHE AG (CH) 2015-03-12 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 (4 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-20160185780-A1 TRIAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF ABL1, JAK2, JAK1 DRD2 4124/4885AKT1 664/4885AKT2 548/4885
US-20180298033-A1 TRIAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF ABL1, JAK2, JAK1 DRD2 4124/4885AKT1 664/4885AKT2 548/4885
US-20190233441-A1 TRIAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF ABL1, JAK2, JAK1 DRD2 4124/4885AKT1 664/4885AKT2 548/4885
US-20170226132-A1 TRIAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF ABL1, JAK2, JAK1 DRD2 4124/4885AKT1 664/4885AKT2 548/4885

“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.