SCHEMBL17286013

SCHEMBL17286013

CN1CCC[C@@H]1C(O)CO

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CHRNB4 P30926 6/20 0.39
CHRNA3 P32297 6/20 0.39
CHRNB2 P17787 1/20 0.33
CHRNA4 P43681 1/20 0.33
SLC6A2 P23975 1/20 0.31
SLC6A4 P31645 1/20 0.31
SLC6A3 Q01959 1/20 0.31
L3MBTL3 Q96JM7 1/20 0.31

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
SCHEMBL29174517 1.00 CHRNB4 (0.39) CHRNB4CHRNA3CHRNB2CHRNA4SLC6A2
SCHEMBL29174518 1.00 CHRNB4 (0.39) CHRNB4CHRNA3CHRNB2CHRNA4SLC6A2
SCHEMBL16564667 0.94 SLC6A2 (0.36) CHRNB4CHRNA3SLC6A2SLC6A4SLC6A3
Fumaric Acid SCHEMBL29174531 0.87 CYP3A4 (0.35) CHRNB4CHRNA3
Fumaric Acid SCHEMBL29174530 0.87 CYP3A4 (0.35) CHRNB4CHRNA3
SCHEMBL754993 0.83 CHRNB4 (0.39) CHRNB4CHRNA3CHRNB2CHRNA4SLC6A2
SCHEMBL30467247 0.83 CHRNB4 (0.39) CHRNB4CHRNA3CHRNB2CHRNA4SLC6A2
SCHEMBL29300216 0.82 CHRNB4 (0.38) CHRNB4CHRNA3CHRNB2CHRNA4SLC6A2
SCHEMBL5032547 0.81 CHRNB4 (0.40) CHRNB4CHRNA3CHRNB2CHRNA4SLC6A2
SCHEMBL25020692 0.79 CHRNB4 (0.42) CHRNB4CHRNA3CHRNB2CHRNA4SLC6A2

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 CHRNB4 4855/4885CHRNA3 4877/4885CHRNB2 4845/4885
US-20160237086-A1 5-CHLORO-2-DIFLUOROMETHOXYPHENYL PYRAZOLOPYRIMIDINE COMPOUNDS,COMPOSITIONS AND METHODS OF USE THEREOF ABL1, JAK2, FLT3 CHRNB4 4855/4885CHRNA3 4877/4885CHRNB2 4845/4885
US-20170145020-A1 5-CHLORO-2-DIFLUOROMETHOXYPHENYL PYRAZOLOPYRIMIDINE COMPOUNDS,COMPOSITIONS AND METHODS OF USE THEREOF ABL1, JAK2, FLT3 CHRNB4 4855/4885CHRNA3 4877/4885CHRNB2 4845/4885

“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.