SCHEMBL17166229

SCHEMBL17166229

Cc1ccc(OCC2CN(C(C)(C)C)CCO2)cn1

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.52
LRRK2 Q5S007 1/20 0.47
DRD4 P21917 7/20 0.47
CHRNB2 P17787 2/20 0.46
CHRNA4 P43681 2/20 0.46
CHRNB1 P11230 1/20 0.46
CHRNB4 P30926 1/20 0.46
CHRNA3 P32297 1/20 0.46
CHRNB3 Q05901 1/20 0.46
PDK1 Q15118 1/20 0.45
HRH3 Q9Y5N1 3/20 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
SCHEMBL17166482 0.84 HRH3 (0.61) LRRK2DRD4CHRNB2CHRNA4CHRNB1
SCHEMBL9641488 0.81 HRH3 (0.64) EPHX2DRD4PDK1HRH3
Hydrochloric Acid SCHEMBL9640901 0.80 HRH3 (0.62) EPHX2DRD4PDK1HRH3
SCHEMBL4900424 0.75 CHRNB2 (0.56) CHRNB2CHRNA4CHRNB1CHRNB4CHRNA3
SCHEMBL4900414 0.75 CHRNB2 (0.56) CHRNB2CHRNA4CHRNB1CHRNB4CHRNA3
SCHEMBL15401221 0.72 HTR2A (0.56) LRRK2CHRNB2CHRNA4CHRNB1CHRNB4
SCHEMBL14061584 0.71
SCHEMBL14061583 0.71
SCHEMBL14149621 0.71
SCHEMBL243825 0.71 CHRNB2 (0.51) CHRNB2CHRNA4CHRNB1CHRNB4CHRNA3

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 EPHX2 2956/4885LRRK2 1/4885DRD4 618/4885

“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.