SCHEMBL17285877

SCHEMBL17285877

CN1CCC(NCCc2ccc(O)cc2)CC1

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TMEM97 Q5BJF2 2/20 0.47
SIGMAR1 Q99720 1/20 0.47
GRIN2B Q13224 2/20 0.46
ACHE P22303 1/20 0.46
BACE1 P56817 1/20 0.46
SYK P43405 2/20 0.43
TAAR1 Q96RJ0 1/20 0.43
MEN1 O00255 1/20 0.43
MITF O75030 1/20 0.43
KMT2A Q03164 1/20 0.43
KDM4E B2RXH2 1/20 0.42
F13A1 P00488 1/20 0.42
DPP7 Q9UHL4 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
SCHEMBL17285884 0.84 KMT2A (0.59) GRIN2BACHEBACE1SYKTAAR1
SCHEMBL22878123 0.84 GRIN2B (0.46) TMEM97SIGMAR1GRIN2BACHEBACE1
SCHEMBL17284605 0.84 BACE1 (0.46) TMEM97SIGMAR1GRIN2BACHEBACE1
SCHEMBL4218912 0.84 GRIN2B (0.66) SIGMAR1GRIN2BTAAR1
SCHEMBL17282058 0.84 TMEM97 (0.44) TMEM97SIGMAR1GRIN2BACHEBACE1
SCHEMBL9995215 0.82 KMT2A (0.60) SIGMAR1MEN1KMT2AKDM4E
SCHEMBL17285880 0.81 SLC6A5 (0.53) TMEM97SIGMAR1ACHEBACE1TAAR1
SCHEMBL13773051 0.80 TAAR1 (0.64) TMEM97SIGMAR1GRIN2BTAAR1MEN1
SCHEMBL3697084 0.79 TMEM97 (0.47) TMEM97SIGMAR1GRIN2BTAAR1KDM4E
SCHEMBL3697088 0.79 TMEM97 (0.47) TMEM97SIGMAR1GRIN2BTAAR1KDM4E

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 TMEM97 810/4885SIGMAR1 1418/4885GRIN2B 1651/4885
US-20160237086-A1 5-CHLORO-2-DIFLUOROMETHOXYPHENYL PYRAZOLOPYRIMIDINE COMPOUNDS,COMPOSITIONS AND METHODS OF USE THEREOF ABL1, JAK2, FLT3 TMEM97 810/4885SIGMAR1 1418/4885GRIN2B 1651/4885
US-20170145020-A1 5-CHLORO-2-DIFLUOROMETHOXYPHENYL PYRAZOLOPYRIMIDINE COMPOUNDS,COMPOSITIONS AND METHODS OF USE THEREOF ABL1, JAK2, FLT3 TMEM97 810/4885SIGMAR1 1418/4885GRIN2B 1651/4885

“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.