SCHEMBL17166237

SCHEMBL17166237

CC(C)(C)N1CCOC(c2cccc(O)c2)C1

nearest known ligand 0.64

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 12/20 0.64
DRD2 P14416 4/20 0.49
HTR1A P08908 3/20 0.44
CHRM2 P08172 1/20 0.44
HTR2B P41595 1/20 0.44
DRD1 P21728 2/20 0.41
DRD4 P21917 2/20 0.41
DRD5 P21918 2/20 0.41

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
SCHEMBL10614957 0.86 DRD3 (0.52) DRD3DRD2HTR1ADRD1DRD4
SCHEMBL2295365 0.83 DRD3 (0.47) DRD3HTR1ACHRM2HTR2B
SCHEMBL2296807 0.83 DRD3 (0.47) DRD3HTR1ACHRM2HTR2B
SCHEMBL9640630 0.83 DRD3 (0.44) DRD3HTR1ACHRM2HTR2B
Hydrochloric Acid SCHEMBL9640898 0.82 DRD3 (0.43) DRD3HTR1ACHRM2HTR2B
SCHEMBL9641992 0.82 CNR2 (0.45) DRD3HTR1ACHRM2HTR2B
SCHEMBL13093625 0.82 CNR2 (0.45) DRD3HTR1ACHRM2HTR2B
SCHEMBL12363949 0.82 CNR2 (0.45) DRD3HTR1ACHRM2HTR2B
SCHEMBL11164952 0.81 DRD3 (0.69) DRD3DRD2HTR1ADRD1DRD4
SCHEMBL9641532 0.81 DRD3 (0.67) DRD3DRD2HTR1ACHRM2HTR2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9642855-B2 Substituted pyrrolo[2,3-d]pyrimidines as LRRK2 inhibitors PFIZER INC. (US) 2017-05-09 US disclosed
US-9642855-B2 Substituted pyrrolo[2,3-d]pyrimidines as LRRK2 inhibitors PFIZER INC. (US) 2017-05-09 US disclosed
US-20150366874-A1 Novel 4-(Substituted Amino)-7H-Pyrrolo[2,3-d]Pyrimidines As LRRK2 Inhibitors PFIZER INC. (US) 2015-12-24 US disclosed
US-9156845-B2 4-(substituted amino)-7H-pyrrolo[2,3-d] pyrimidines as LRRK2 inhibitors PFIZER INC. (US) 2015-10-13 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 (1 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-20150366874-A1 Novel 4-(Substituted Amino)-7H-Pyrrolo[2,3-d]Pyrimidines As LRRK2 Inhibitors LRRK2, PARK7, BRCA1 DRD3 595/4885DRD2 341/4885HTR1A 1766/4885

“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.