SCHEMBL883326

SCHEMBL883326

C[C@H]1CCN(C(=O)CCc2n[nH]c3ccnc(NC4CCOCC4)c23)C1

nearest known ligand 0.66

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 18/20 0.66
GAA P10253 1/20 0.39
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.39
HSD17B10 Q99714 1/20 0.39
CNR2 P34972 1/20 0.37

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
SCHEMBL13834173 1.00 LRRK2 (0.66) LRRK2GAAALOX15TSHRHSD17B10
SCHEMBL13834153 1.00 LRRK2 (0.66) LRRK2GAAALOX15TSHRHSD17B10
SCHEMBL13834167 0.95 LRRK2 (0.74) LRRK2GAATSHRHSD17B10
SCHEMBL883324 0.95 LRRK2 (0.74) LRRK2GAATSHRHSD17B10
SCHEMBL13834382 0.95 LRRK2 (0.74) LRRK2GAATSHRHSD17B10
SCHEMBL3768589 0.91 LRRK2 (0.57) LRRK2GAATSHRHSD17B10
SCHEMBL16857686 0.91 LRRK2 (0.57) LRRK2GAATSHRHSD17B10
SCHEMBL883325 0.90 LRRK2 (0.60) LRRK2GAAALOX15TSHRHSD17B10
SCHEMBL19566703 0.87 LRRK2 (0.62) LRRK2GAATSHRHSD17B10
SCHEMBL3766993 0.87 LRRK2 (0.62) LRRK2GAATSHRHSD17B10

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-8569281-B2 Compounds and their administration for treating a neurodegenerative disease as well as a method for identifying a compound capable of inhibiting a kinase, such as LRRK MEDICAL RESEARCH COUNCIL TECHNOLOGY (GB) 2013-10-29 US disclosed
US-20120295883-A1 COMPOUNDS GENENTECH, INC. (US) 2012-11-22 US disclosed
US-20120295883-A1 COMPOUNDS GENENTECH, INC. (US) 2012-11-22 US disclosed
WO-2012038743-A1 PYRAZOLOPYRIDINES AS INHIBITORS OF THE KINASE LRRK2 MEDICAL RESEARCH COUNCIL TECHNOLOGY (GB) 2012-03-29 WO 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-20120295883-A1 COMPOUNDS ABCC5, PRNP, PC LRRK2 1512/4885GAA 342/4885ALOX15 2937/4885

“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.