SCHEMBL16985276

SCHEMBL16985276

O=[N+]([O-])c1cnn(C2CCOCC2)c1C1CC1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 1/20 0.38
PDE1C Q14123 6/20 0.36
PDE1A P54750 4/20 0.36
PDE1B Q01064 4/20 0.36
PDE9A O76083 8/20 0.36
CYP1A2 P05177 2/20 0.35
CYP2C9 P11712 2/20 0.35
MAPT P10636 2/20 0.35
ALDH1A1 P00352 1/20 0.35
CYP2C19 P33261 1/20 0.35
TXNRD1 Q16881 1/20 0.34
PDE4D Q08499 1/20 0.34
LMNA P02545 1/20 0.33
POLB P06746 1/20 0.33
HTT P42858 1/20 0.33

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
SCHEMBL4560602 0.84 PDE1C (0.40) LRRK2PDE1CPDE1APDE1BPDE9A
SCHEMBL16975528 0.84 PKM (0.34) MAPTALDH1A1LMNA
SCHEMBL20555375 0.81 PDE1C (0.42) LRRK2PDE1CPDE1APDE1BPDE9A
SCHEMBL16985266 0.77 TXNRD1 (0.43) PDE1CPDE1APDE1BCYP1A2CYP2C9
SCHEMBL25420038 0.77 ALDH1A1 (0.39) LRRK2PDE1CPDE1APDE1BCYP1A2
SCHEMBL31121567 0.76 PDE1C (0.41) LRRK2PDE1CPDE1APDE1BPDE9A
SCHEMBL16985290 0.75 LRRK2 (0.39) LRRK2PDE1CPDE1APDE1BPDE9A
SCHEMBL30896408 0.75 PIK3CD (0.39) LRRK2PDE1CPDE1APDE1BPDE9A
SCHEMBL16975516 0.74 ALDH1A1 (0.41) CYP1A2CYP2C9MAPTALDH1A1CYP2C19
SCHEMBL28434366 0.73 MEN1 (0.40) CYP1A2CYP2C9CYP2C19POLB

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-10618901-B2 LRRK2 inhibitors for the treatment of Parkinson's disease GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2020-04-14 US disclosed
EP-3099695-B1 COMPOUNDS GLAXOSMITHKLINE IP DEV LTD (GB) 2020-04-08 EP disclosed
US-20170015668-A1 COMPOUNDS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2017-01-19 US disclosed
US-20170015668-A1 COMPOUNDS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2017-01-19 US disclosed
WO-2015113452-A1 COMPOUNDS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2015-08-06 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 (2 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-10618901-B2 LRRK2 inhibitors for the treatment of Parkinson's disease LRRK2, PARK7, PINK1 LRRK2 1/4885PDE1C 2985/4885PDE1A 2561/4885
US-20170015668-A1 COMPOUNDS LRRK2, PARK7, PINK1 LRRK2 1/4885PDE1C 3722/4885PDE1A 3374/4885

“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.