SCHEMBL16985309

SCHEMBL16985309

Cc1c([N+](=O)[O-])cnn1CCN1CCOC[C@H]1C

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.37
MAPT P10636 3/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
GAA P10253 3/20 0.33
WNT1 P04628 2/20 0.33
GSK3B P49841 2/20 0.33
DYRK1A Q13627 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ATM Q13315 1/20 0.33
MEN1 O00255 1/20 0.33
POLB P06746 1/20 0.33
KMT2A Q03164 1/20 0.33
GRM2 Q14416 2/20 0.33
MTOR P42345 1/20 0.32
LMNA P02545 2/20 0.32
HTT P42858 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32

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
SCHEMBL20580172 1.00 ALDH1A1 (0.37) ALDH1A1MAPTCYP1A2CYP2C9CYP2C19
SCHEMBL16975461 1.00 ALDH1A1 (0.37) ALDH1A1MAPTCYP1A2CYP2C9CYP2C19
SCHEMBL13634224 0.81 POLB (0.49) ALDH1A1MAPTCYP1A2CYP2C9CYP2C19
SCHEMBL16975302 0.79 ADORA2A (0.36) WNT1GSK3BDYRK1AGRM2MTOR
SCHEMBL16975470 0.79 ADORA2A (0.36) WNT1GSK3BDYRK1AGRM2MTOR
SCHEMBL16975301 0.79 ADORA2A (0.36) WNT1GSK3BDYRK1AGRM2MTOR
SCHEMBL28104852 0.77 KDM1A (0.40) ALDH1A1MAPTCYP1A2CYP2C9CYP2C19
SCHEMBL16975569 0.77 KDM1A (0.40) ALDH1A1MAPTCYP1A2CYP2C9CYP2C19
SCHEMBL16975501 0.77 KDM1A (0.40) ALDH1A1MAPTCYP1A2CYP2C9CYP2C19
SCHEMBL21851520 0.75 ALDH1A1 (0.44) ALDH1A1MAPTCYP2C9CYP2C19GAA

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 9 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
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-20180354956-A1 COMPOUNDS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2018-12-13 US disclosed
CN-105940004-B Compound 葛兰素史密斯克莱知识产权发展有限公司 2018-02-02 CN 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
CN-105940004-A Compounds 葛兰素史密斯克莱知识产权发展有限公司 2016-09-14 CN 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 (3 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 ALDH1A1 4033/4885MAPT 9/4885CYP1A2 4774/4885
US-20170015668-A1 COMPOUNDS LRRK2, PARK7, PINK1 ALDH1A1 3795/4885MAPT 6/4885CYP1A2 4729/4885
US-20180354956-A1 COMPOUNDS LRRK2, PARK7, PINK1 ALDH1A1 3795/4885MAPT 6/4885CYP1A2 4729/4885

“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.