SCHEMBL2078709

SCHEMBL2078709

C1CCCC(C2CCNCCN2)CC1

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.33
EPAS1 Q99814 1/20 0.33
ALDH1A1 P00352 2/20 0.32
CXCR4 P61073 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
Piperazine SCHEMBL9068838 0.84 EPAS1 (0.32) EPAS1ALDH1A1
SCHEMBL8193143 0.84 EPAS1 (0.32) EPAS1ALDH1A1
SCHEMBL20121932 0.83 CXCR4 (0.31) EPAS1ALDH1A1CXCR4SMN1; SMN2
SCHEMBL19608324 0.82 ALDH1A1 (0.41) EPAS1ALDH1A1
SCHEMBL2931996 0.81 EPAS1 (0.33) EPAS1ALDH1A1
SCHEMBL28119029 0.81 EPAS1 (0.33) EPAS1ALDH1A1
SCHEMBL16877827 0.80 L3MBTL1 (0.36)
SCHEMBL8235477 0.79 L3MBTL1 (0.39) EPHX1ALDH1A1CXCR4SMN1; SMN2
SCHEMBL4069679 0.79 MBTD1 (0.32)
SCHEMBL17733612 0.79 EPAS1 (0.32) EPAS1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2318408-B1 TRI-CYCLIC PYRAZOLOPYRIDINE KINASE INHIBITORS VERTEX PHARMA (US) 2016-02-17 EP claimed
EP-2328896-B1 TRI-CYCLIC PYRAZOLOPYRIDINE KINASE INHIBITORS VERTEX PHARMA (US) 2013-10-23 EP claimed
EP-2318407-B1 PYRAZOLOPYRIDINE KINASE INHIBITORS VERTEX PHARMA (US) 2013-01-02 EP claimed
CN-102131808-A Pyrazolopyridine kinase inhibitors VERTEX PHARMA 2011-07-20 CN claimed
CN-102131809-A Tricyclic pyrazolopyridine kinase inhibitors VERTEX PHARMA 2011-07-20 CN claimed
US-6903118-B1 Piperazinyl-substituted pyridylalkane, alkene and alkine carboxamides KLINGE PHARMA GMBH (DE) 2005-06-07 US claimed
EP-2318408-B1 TRI-CYCLIC PYRAZOLOPYRIDINE KINASE INHIBITORS VERTEX PHARMA (US) 2016-02-17 EP disclosed
CN-103755710-A 2,5-diazabicyclo heptane compound and application thereof UNIV KUNMING SCIENCE & TECHNOLOGY 2014-04-30 CN disclosed
CN-103755710-A 2,5-diazabicyclo heptane compound and application thereof UNIV KUNMING SCIENCE & TECHNOLOGY 2014-04-30 CN disclosed
CN-101426774-B Azolecarboxamide derivative ASTELLAS PHARMA INC 2012-04-25 CN disclosed
US-8163746-B2 Azolecarboxamide derivative ASTELLAS PHARMA INC. (JP) 2012-04-24 US disclosed
CN-102131809-A Tricyclic pyrazolopyridine kinase inhibitors VERTEX PHARMA 2011-07-20 CN disclosed
CN-102131808-A Pyrazolopyridine kinase inhibitors VERTEX PHARMA 2011-07-20 CN disclosed
US-20090286766-A1 AZOLECARBOXAMIDE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2009-11-19 US disclosed
CN-101426774-A Azolecarboxamide derivative ASTELLAS PHARMA INC (JP) 2009-05-06 CN disclosed
EP-2009005-A1 AZOLECARBOXAMIDE DERIVATIVE Astellas Pharma Inc. (JP) 2008-12-31 EP 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 (1 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-20090286766-A1 AZOLECARBOXAMIDE DERIVATIVE GPR17, NTRK1, TRPV1 EPHX1 2942/4885EPAS1 3161/4885ALDH1A1 975/4885

“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.