SCHEMBL17286012

SCHEMBL17286012

CN1C[C@@H]2CN(CCc3ccccc3)C[C@@H]2C1

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.54
SLC6A3 Q01959 1/20 0.53
SIGMAR1 Q99720 2/20 0.52
GBA1 P04062 1/20 0.50
CCR3 P51677 1/20 0.49
HTR1A P08908 1/20 0.47
DRD2 P14416 1/20 0.47
HRH3 Q9Y5N1 1/20 0.47
HTR2A P28223 1/20 0.46
HTR2C P28335 1/20 0.46
KCNH2 Q12809 1/20 0.46

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
SCHEMBL7003079 0.92 SLC6A3 (0.61) ACHESLC6A3SIGMAR1GBA1CCR3
SCHEMBL7523207 0.85 SLC6A3 (0.57) ACHESLC6A3SIGMAR1GBA1CCR3
SCHEMBL22878369 0.84 SLC6A3 (0.52) ACHESLC6A3SIGMAR1GBA1CCR3
SCHEMBL17284517 0.84 SLC6A3 (0.52) ACHESLC6A3SIGMAR1GBA1CCR3
SCHEMBL26240943 0.83 MC4R (0.58) ACHESIGMAR1DRD2HRH3
SCHEMBL1796837 0.83 MC4R (0.58) ACHESIGMAR1DRD2HRH3
SCHEMBL17281970 0.83 ACHE (0.49) ACHESLC6A3SIGMAR1GBA1CCR3
SCHEMBL7385498 0.81 HRH3 (0.58) ACHESLC6A3SIGMAR1GBA1CCR3
SCHEMBL7383573 0.81 HRH3 (0.58) ACHESLC6A3SIGMAR1GBA1CCR3
SCHEMBL7383124 0.81 SLC6A3 (0.53) ACHESLC6A3SIGMAR1GBA1CCR3

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 ACHE 4617/4885SLC6A3 4693/4885SIGMAR1 1418/4885
US-20160237086-A1 5-CHLORO-2-DIFLUOROMETHOXYPHENYL PYRAZOLOPYRIMIDINE COMPOUNDS,COMPOSITIONS AND METHODS OF USE THEREOF ABL1, JAK2, FLT3 ACHE 4617/4885SLC6A3 4693/4885SIGMAR1 1418/4885
US-20170145020-A1 5-CHLORO-2-DIFLUOROMETHOXYPHENYL PYRAZOLOPYRIMIDINE COMPOUNDS,COMPOSITIONS AND METHODS OF USE THEREOF ABL1, JAK2, FLT3 ACHE 4617/4885SLC6A3 4693/4885SIGMAR1 1418/4885

“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.