SCHEMBL1753690

SCHEMBL1753690

CN1CCCC2(CCCN(C)C2)C1

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
USP2 O75604 4/20 0.52
CYP1A2 P05177 2/20 0.44
CYP3A4 P08684 9/20 0.43
TSHR P16473 6/20 0.43
CYP2D6 P10635 4/20 0.43
CYP2C9 P11712 2/20 0.43
HSD17B10 Q99714 2/20 0.43
CYP2C19 P33261 3/20 0.39
ALDH1A1 P00352 1/20 0.39
HIF1A Q16665 1/20 0.39

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
SCHEMBL1753469 0.95 USP2 (0.53) USP2CYP1A2CYP3A4TSHRCYP2D6
SCHEMBL1753865 0.92 USP2 (0.50) USP2CYP1A2CYP3A4TSHRCYP2D6
SCHEMBL12946060 0.92
SCHEMBL4400144 0.92 USP2 (0.55) USP2CYP1A2CYP3A4TSHRCYP2D6
SCHEMBL9966035 0.92 USP2 (0.55) USP2CYP1A2CYP3A4TSHRCYP2D6
SCHEMBL19738982 0.89 USP2 (0.53) USP2CYP1A2CYP3A4TSHRCYP2D6
SCHEMBL879178 0.89 USP2 (0.53) USP2CYP1A2CYP3A4TSHRCYP2D6
SCHEMBL21120254 0.89 USP2 (0.53) USP2CYP1A2CYP3A4TSHRCYP2D6
SCHEMBL18739535 0.89 USP2 (0.53) USP2CYP1A2CYP3A4TSHRCYP2D6
SCHEMBL1753496 0.87 USP2 (0.56) USP2CYP1A2CYP3A4TSHRCYP2D6

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 17 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
EP-3041841-B1 TRIAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF HOFFMANN LA ROCHE (CH) 2019-06-05 EP disclosed
EP-2773351-B1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL MERCK SHARP & DOHME (US) 2017-08-23 EP disclosed
US-20170226132-A1 TRIAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2017-08-10 US disclosed
US-9493474-B2 Inhibitors of the renal outer medullary potassium channel MERCK SHARP & DOHME CORP. (US) 2016-11-15 US disclosed
US-20160185780-A1 TRIAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2016-06-30 US disclosed
US-20140288042-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL MERCK SHARP & DOHME LLC 2014-09-25 US disclosed
EP-2102208-B1 NOVEL SUBSTITUTED DIAZA SPIRO PYRIDINONE DERIVATIVES FOR USE IN MCH-1 MEDIATED DISEASES JANSSEN PHARMACEUTICA NV (BE) 2014-04-23 EP disclosed
US-8629147-B2 Heterocyclic compounds useful in the treatment of neoplastic diseases, inflammatory disorders and immunomodulatory disorders CHEMBRIDGE CORPORATION (US) 2014-01-14 US disclosed
US-8158643-B2 Substituted diaza-spiro-pyridinone derivatives for use in MCH-1 mediated diseases JANSSEN PHARMACEUTICA N.V. (BE) 2012-04-17 US disclosed
US-20100035909-A1 NOVEL SUBSTITUTED DIAZA-SPIRO-PYRIDINONE DERIVATIVES FOR USE IN MCH-1 MEDIATED DISEASES JANSSEN PHARMACEUTICA N.V. (BE) 2010-02-11 US disclosed
US-7544694-B2 Substituted diaza-spiro-[5.5]-undecane derivatives and their use as neurokinin antagonists JANSSEN PHARMACEUTICA N.V. (BE) 2009-06-09 US disclosed
US-20080207635-A1 Heterocyclic compounds useful in the treatment of neoplastic diseases, inflammatory disorders and immunomodulatory disorders CHEMBRIDGE CORPORATION 2008-08-28 US disclosed
WO-2007135131-A9 SUBSTITUTED PYRAZINONE DERIVATIVES FOR USE AS A MEDICINE JANSSEN PHARMACEUTICA NV (BE) 2008-04-03 WO disclosed
WO-2007135131-A1 SUBSTITUTED PYRAZINONE DERIVATIVES FOR USE AS A MEDICINE JANSSEN PHARMACEUTICA N.V. (BE) 2007-11-29 WO disclosed
US-20070275990-A1 Heterocyclic Spiro Compound ONO PHARMACEUTICAL CO., LTD. 2007-11-29 US disclosed
US-20070232636-A1 Substituted Diaza-Spiro-[5.5]-Undecane Derivaties and Their Use as Neurokinin Antagonists JANSSEN PHARMACEUTICA N.V. (BE) 2007-10-04 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 (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-20160185780-A1 TRIAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF ABL1, JAK2, JAK1 USP2 2327/4885CYP1A2 291/4885CYP3A4 516/4885
US-20070232636-A1 Substituted Diaza-Spiro-[5.5]-Undecane Derivaties and Their Use as Neurokinin Antagonists NPSR1, PROKR2, KISS1R USP2 3580/4885CYP1A2 621/4885CYP3A4 1474/4885
US-20070275990-A1 Heterocyclic Spiro Compound NR3C2, CBR1, CBR3 USP2 4846/4885CYP1A2 909/4885CYP3A4 888/4885
US-20140288042-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL KCNJ2, KCNJ11, KCNK2 USP2 4467/4885CYP1A2 2417/4885CYP3A4 4541/4885
US-20100035909-A1 NOVEL SUBSTITUTED DIAZA-SPIRO-PYRIDINONE DERIVATIVES FOR USE IN MCH-1 MEDIATED DISEASES MCHR1, MCHR2, MC1R USP2 4764/4885CYP1A2 1324/4885CYP3A4 2263/4885
US-20190233441-A1 TRIAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF ABL1, JAK2, JAK1 USP2 2327/4885CYP1A2 291/4885CYP3A4 516/4885
US-20080207635-A1 Heterocyclic compounds useful in the treatment of neoplastic diseases, inflammatory disorders and immunomodulatory disorders LCK, MALT1, MYD88 USP2 3338/4885CYP1A2 2206/4885CYP3A4 2763/4885
US-20170226132-A1 TRIAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF ABL1, JAK2, JAK1 USP2 2327/4885CYP1A2 291/4885CYP3A4 516/4885

“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.