SCHEMBL5540764

SCHEMBL5540764

CC(C)(C)N1CCC(NCCc2ccccc2)CC1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 6/20 0.56
TAAR1 Q96RJ0 1/20 0.52
DRD4 P21917 2/20 0.52
OPRM1 P35372 1/20 0.50
OPRL1 P41146 1/20 0.50
GRIN1 Q05586 1/20 0.47
SIGMAR1 Q99720 1/20 0.47
VCP P55072 1/20 0.46
CARM1 Q86X55 1/20 0.46
PRMT6 Q96LA8 1/20 0.46
HTR5A P47898 1/20 0.45
BCHE P06276 1/20 0.44
ACHE P22303 1/20 0.44
BACE1 P56817 1/20 0.44
TACR1 P25103 1/20 0.44
SLC6A2 P23975 1/20 0.44
SLC6A4 P31645 1/20 0.44
SLC6A3 Q01959 1/20 0.44

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
SCHEMBL5540465 0.91 GRIN2B (0.58) GRIN2BDRD4OPRM1OPRL1GRIN1
SCHEMBL17282026 0.85 KMT2A (0.44) GRIN2BTAAR1DRD4BCHEACHE
SCHEMBL17282058 0.85 TMEM97 (0.44) GRIN2BTAAR1DRD4SIGMAR1BCHE
SCHEMBL955623 0.84 ACHE (0.62) GRIN2BDRD4OPRM1OPRL1CARM1
SCHEMBL17282004 0.83 BCHE (0.47) TAAR1SIGMAR1CARM1PRMT6BCHE
SCHEMBL4218912 0.83 GRIN2B (0.66) GRIN2BTAAR1DRD4OPRM1OPRL1
SCHEMBL662411 0.80 GRIN2B (0.76) GRIN2BTAAR1OPRM1OPRL1GRIN1
SCHEMBL17284578 0.80 GRIN2B (0.61) GRIN2BTAAR1DRD4OPRM1OPRL1
SCHEMBL22878525 0.80 GRIN2B (0.66) GRIN2BTAAR1DRD4OPRM1OPRL1
SCHEMBL4678605 0.79 SOS1 (0.58) OPRM1SIGMAR1BACE1SLC6A2SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190322661-A1 5-CHLORO-2-DIFLUOROMETHOXYPHENYL PYRAZOLOPYRIMIDINE COMPOUNDS,COMPOSITIONS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2019-10-24 US 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-9604984-B2 5-chloro-2-difluoromethoxyphenyl pyrazolopyrimidine compounds, compositions and methods of use thereof GENENTECH, INC. (US) 2017-03-28 US disclosed
EP-1787984-B1 AZACYCLIC COMPOUNDS FOR USE IN THE TREATMENT OF SEROTONIN RELATED DISEASES ACADIA PHARM INC (US) 2016-10-19 EP 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
EP-1787984-A2 AZACYCLIC COMPOUNDS FOR USE IN THE TREATMENT OF SEROTONIN RELATED DISEASES Arcadia Pharmaceuticals Inc. (US) 2007-05-23 EP disclosed
EP-1263729-B1 AZACYCLIC COMPOUNDS FOR USE IN THE TREATMENT OF SEROTONIN RELATED DISEASES ACADIA PHARM INC (US) 2006-12-20 EP 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 (4 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-20190322661-A1 5-CHLORO-2-DIFLUOROMETHOXYPHENYL PYRAZOLOPYRIMIDINE COMPOUNDS,COMPOSITIONS AND METHODS OF USE THEREOF ABL1, JAK2, FLT3 GRIN2B 1651/4885TAAR1 4534/4885DRD4 4794/4885
US-20150336962-A1 5-CHLORO-2-DIFLUOROMETHOXYPHENYL PYRAZOLOPYRIMIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF ABL1, JAK2, FLT3 GRIN2B 1651/4885TAAR1 4534/4885DRD4 4794/4885
US-20160237086-A1 5-CHLORO-2-DIFLUOROMETHOXYPHENYL PYRAZOLOPYRIMIDINE COMPOUNDS,COMPOSITIONS AND METHODS OF USE THEREOF ABL1, JAK2, FLT3 GRIN2B 1651/4885TAAR1 4534/4885DRD4 4794/4885
US-20170145020-A1 5-CHLORO-2-DIFLUOROMETHOXYPHENYL PYRAZOLOPYRIMIDINE COMPOUNDS,COMPOSITIONS AND METHODS OF USE THEREOF ABL1, JAK2, FLT3 GRIN2B 1651/4885TAAR1 4534/4885DRD4 4794/4885

“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.