SCHEMBL17286014

SCHEMBL17286014

CN1CCC(N(C)CCCc2ccccc2)CC1

nearest known ligand 0.62

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 2/20 0.62
SLC6A4 P31645 2/20 0.62
SLC6A3 Q01959 2/20 0.62
GRIN2B Q13224 5/20 0.60
GRIN1 Q05586 2/20 0.57
SLC18A3 Q16572 1/20 0.54
PKM P14618 1/20 0.52
AGTR2 P50052 1/20 0.52
KDM4E B2RXH2 1/20 0.51
ALDH1A1 P00352 1/20 0.51
SIGMAR1 Q99720 2/20 0.50

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
SCHEMBL2056178 0.91 GRIN2B (0.58) SLC6A2SLC6A4SLC6A3GRIN2BSLC18A3
SCHEMBL17284447 0.87 SLC6A2 (0.58) SLC6A2SLC6A4SLC6A3GRIN2BGRIN1
SCHEMBL22878379 0.87 SLC6A2 (0.58) SLC6A2SLC6A4SLC6A3GRIN2BGRIN1
SCHEMBL17282047 0.84 SLC6A2 (0.56) SLC6A2SLC6A4SLC6A3GRIN2BGRIN1
SCHEMBL9392408 0.83 SLC18A3 (0.66) SLC6A2SLC6A4SLC6A3GRIN2BGRIN1
SCHEMBL15824014 0.81 GRIN2B (0.59) SLC6A2SLC6A4SLC6A3GRIN2BGRIN1
SCHEMBL8442356 0.81 KDM4E (0.68) GRIN2BAGTR2KDM4EALDH1A1SIGMAR1
SCHEMBL12359041 0.80 KDM4E (0.49) SLC6A2SLC6A4SLC6A3PKMKDM4E
SCHEMBL15823665 0.80 SLC18A3 (0.62) SLC6A2SLC6A4SLC6A3GRIN2BGRIN1
SCHEMBL15823666 0.80 SLC18A3 (0.62) SLC6A2SLC6A4SLC6A3GRIN2BGRIN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170145020-A1 5-CHLORO-2-DIFLUOROMETHOXYPHENYL PYRAZOLOPYRIMIDINE COMPOUNDS,COMPOSITIONS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2017-05-25 US disclosed
US-9604984-B2 5-chloro-2-difluoromethoxyphenyl pyrazolopyrimidine compounds, compositions and methods of use thereof GENENTECH, INC. (US) 2017-03-28 US disclosed
US-20160237086-A1 5-CHLORO-2-DIFLUOROMETHOXYPHENYL PYRAZOLOPYRIMIDINE COMPOUNDS,COMPOSITIONS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2016-08-18 US disclosed
US-9346815-B2 5-chloro-2-difluoromethoxyphenyl pyrazolopyrimidine compounds, compositions and methods of use thereof GENENTECH, INC. (US) 2016-05-24 US disclosed
US-20150336962-A1 5-CHLORO-2-DIFLUOROMETHOXYPHENYL PYRAZOLOPYRIMIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2015-11-26 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 (3 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-20150336962-A1 5-CHLORO-2-DIFLUOROMETHOXYPHENYL PYRAZOLOPYRIMIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF ABL1, JAK2, FLT3 SLC6A2 4782/4885SLC6A4 4398/4885SLC6A3 4693/4885
US-20160237086-A1 5-CHLORO-2-DIFLUOROMETHOXYPHENYL PYRAZOLOPYRIMIDINE COMPOUNDS,COMPOSITIONS AND METHODS OF USE THEREOF ABL1, JAK2, FLT3 SLC6A2 4782/4885SLC6A4 4398/4885SLC6A3 4693/4885
US-20170145020-A1 5-CHLORO-2-DIFLUOROMETHOXYPHENYL PYRAZOLOPYRIMIDINE COMPOUNDS,COMPOSITIONS AND METHODS OF USE THEREOF ABL1, JAK2, FLT3 SLC6A2 4782/4885SLC6A4 4398/4885SLC6A3 4693/4885

“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.