SCHEMBL17286018

SCHEMBL17286018

CN(C)CCOC(=O)C1(C)CCN(C)CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.50
NPSR1 Q6W5P4 1/20 0.43
CHRM1 P11229 3/20 0.42
CHRM3 P20309 3/20 0.42
CHRM2 P08172 2/20 0.42
CHRM5 P08912 2/20 0.42
CHRM4 P08173 1/20 0.42
CHRNB2 P17787 1/20 0.42
CHRNA4 P43681 1/20 0.42
LMNA P02545 3/20 0.40
TSHR P16473 1/20 0.40
CYP2C19 P33261 1/20 0.40
OPRM1 P35372 3/20 0.35
SLC22A1 O15245 1/20 0.35
SLC6A4 P31645 1/20 0.35
ADRA1A P35348 1/20 0.35
OPRD1 P41143 1/20 0.35
OPRK1 P41145 1/20 0.35
KCNH2 Q12809 1/20 0.35
ALDH1A1 P00352 1/20 0.35

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
SCHEMBL17285982 0.90 SMN1; SMN2 (0.44) SMN1; SMN2NPSR1CHRM1CHRM3CHRM2
SCHEMBL12881566 0.86 SMN1; SMN2 (0.42) SMN1; SMN2NPSR1CHRM1CHRM3CHRM2
SCHEMBL17282104 0.83 SMN1; SMN2 (0.47) SMN1; SMN2NPSR1CHRM1CHRM3CHRM2
SCHEMBL17284727 0.82 SMN1; SMN2 (0.43) SMN1; SMN2NPSR1CHRM1CHRM3CHRM2
SCHEMBL22878240 0.82 SMN1; SMN2 (0.43) SMN1; SMN2NPSR1CHRM1CHRM3CHRM2
SCHEMBL29470976 0.81 OPRM1 (0.41) CHRM1CHRM3CHRM5OPRM1SLC22A1
SCHEMBL17282206 0.80 SMN1; SMN2 (0.41) SMN1; SMN2NPSR1CHRM1CHRM3CHRM2
SCHEMBL17284616 0.79 SMN1; SMN2 (0.55) SMN1; SMN2NPSR1CHRM1CHRM3CHRM2
SCHEMBL17275937 0.79 SMN1; SMN2 (0.43) SMN1; SMN2NPSR1CHRM1CHRM3CHRM2
SCHEMBL12881561 0.79 ALDH1A1 (0.35) SMN1; SMN2NPSR1CHRM1CHRM3CHRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3145929-B1 5-CHLORO-2-DIFLUOROMETHOXYPHENYL PYRAZOLOPYRIMIDINE COMPOUNDS WHICH ARE JAK INHIBITORS HOFFMANN LA ROCHE (CH) 2021-01-13 EP disclosed
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 SMN1; SMN2 3594/4885NPSR1 4497/4885CHRM1 4881/4885
US-20160237086-A1 5-CHLORO-2-DIFLUOROMETHOXYPHENYL PYRAZOLOPYRIMIDINE COMPOUNDS,COMPOSITIONS AND METHODS OF USE THEREOF ABL1, JAK2, FLT3 SMN1; SMN2 3594/4885NPSR1 4497/4885CHRM1 4881/4885
US-20170145020-A1 5-CHLORO-2-DIFLUOROMETHOXYPHENYL PYRAZOLOPYRIMIDINE COMPOUNDS,COMPOSITIONS AND METHODS OF USE THEREOF ABL1, JAK2, FLT3 SMN1; SMN2 3594/4885NPSR1 4497/4885CHRM1 4881/4885

“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.