SCHEMBL10190899

SCHEMBL10190899

CN1CCN(c2cccc(CC(C)(C)C)c2)CC1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AGXT P21549 2/20 0.61
ADRA2C P18825 2/20 0.60
HTR3A P46098 1/20 0.46
PRMT6 Q96LA8 1/20 0.45
DRD2 P14416 2/20 0.44
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
GAA P10253 1/20 0.43
MAPT P10636 1/20 0.43
GFER P55789 1/20 0.43
KMT2A Q03164 1/20 0.43
PTK2B Q14289 1/20 0.43
ESR2 Q92731 1/20 0.43
PLOD2 O00469 1/20 0.43
PLOD3 O60568 1/20 0.43
PLOD1 Q02809 1/20 0.43
CACNA2D1 P54289 2/20 0.42
SLC6A2 P23975 1/20 0.42
HTR6 P50406 1/20 0.42
HTR1A P08908 1/20 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
SCHEMBL5787881 0.88 AGXT (0.62) AGXTADRA2CHTR3APRMT6DRD2
SCHEMBL8349954 0.87 PRMT6 (0.59) AGXTADRA2CPRMT6KDM4EALDH1A1
SCHEMBL13863230 0.86 AGXT (0.57) AGXTADRA2CHTR3APRMT6DRD2
SCHEMBL10190904 0.85 PRMT6 (0.62) AGXTADRA2CPRMT6KDM4EALDH1A1
SCHEMBL8352129 0.84 CHRNA7 (0.56) AGXTDRD2KDM4EGAAMAPT
SCHEMBL8349952 0.83 KHK (0.45) AGXTADRA2CPRMT6KDM4EALDH1A1
SCHEMBL27659031 0.83 AGXT (0.57) AGXTADRA2CPLOD2PLOD3PLOD1
SCHEMBL10190881 0.83 AGXT (0.60) AGXTADRA2CPRMT6ALDH1A1MAPT
SCHEMBL20671914 0.83 ADRB1 (0.57) HTR3ADRD2ALDH1A1MAPTHTR6
SCHEMBL8222798 0.82 AGXT (0.63) AGXTADRA2CHTR3APRMT6DRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160244456-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS GENENTECH, INC. (US) 2016-08-25 US disclosed
US-20140107099-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS GENENTECH, INC. (US) 2014-04-17 US disclosed
US-8637526-B2 Pyrazolopyrimidine JAK inhibitor compounds and methods GENENTECH, INC. (US) 2014-01-28 US disclosed
US-20120022043-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS GENENTECH, INC. (US) 2012-01-26 US disclosed
US-7795245-B2 Heterobicyclic metalloprotease inhibitors Atlantos Pharmaceuticals Holding, Inc. (US) 2010-09-14 US disclosed
US-20090137547-A1 Heterobicyclic metalloprotease inhibitors ALANTOS PHARMACEUTICALS HOLDING, INC. 2009-05-28 US disclosed
US-20070155737-A1 Heterobicyclic metalloprotease inhibitors ALANTOS PHARMACEUTICALS, INC. 2007-07-05 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 (5 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-20070155737-A1 Heterobicyclic metalloprotease inhibitors ADAMTS4, ADAMTS1, ADAMTS5 AGXT 520/4885ADRA2C 4806/4885HTR3A 2020/4885
US-20120022043-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK2, JAK1, JAK3 AGXT 2826/4885ADRA2C 1957/4885HTR3A 3857/4885
US-20140107099-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK2, JAK1, JAK3 AGXT 2826/4885ADRA2C 1957/4885HTR3A 3857/4885
US-20160244456-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK2, JAK1, JAK3 AGXT 2826/4885ADRA2C 1957/4885HTR3A 3857/4885
US-20090137547-A1 Heterobicyclic metalloprotease inhibitors MMP13, TIMP3, MMP3 AGXT 600/4885ADRA2C 4284/4885HTR3A 410/4885

“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.