SCHEMBL16982335

SCHEMBL16982335

CN1CCN(C(=O)c2ccc([N+](=O)[O-])c(OC(F)F)c2)CC1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 2/20 0.51
▸ MEN1 O00255 3/20 0.49
▸ KMT2A Q03164 3/20 0.49
▸ ALDH1A1 P00352 4/20 0.48
▸ KDM4E B2RXH2 2/20 0.48
▸ ERN1 O75460 1/20 0.46
▸ GAA P10253 1/20 0.46
▸ LRRK2 Q5S007 1/20 0.45
▸ HPGD P15428 2/20 0.45
▸ TSHR P16473 1/20 0.45
▸ BLM P54132 1/20 0.45
▸ SIRT6 Q8N6T7 1/20 0.44
▸ POLB P06746 1/20 0.44
▸ HRH4 Q9H3N8 2/20 0.44
▸ NPBWR1 P48145 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ MCHR1 Q99705 1/20 0.43
▸ LMNA P02545 1/20 0.43
▸ GLA P06280 1/20 0.43
▸ HTT P42858 1/20 0.43

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
SCHEMBL16982489 0.89 L3MBTL1 (0.52) L3MBTL1MEN1KMT2AALDH1A1KDM4E
SCHEMBL20225770 0.89 MEN1 (0.54) L3MBTL1MEN1KMT2AALDH1A1KDM4E
SCHEMBL520107 0.85 SIRT6 (0.61) L3MBTL1MEN1KMT2AALDH1A1KDM4E
SCHEMBL28107332 0.84 LMNA (0.45) L3MBTL1ALDH1A1GAAHPGDBLM
SCHEMBL546758 0.84 L3MBTL1 (0.62) L3MBTL1MEN1KMT2AALDH1A1KDM4E
SCHEMBL16982412 0.82 NPSR1 (0.56) L3MBTL1MEN1KMT2AALDH1A1KDM4E
SCHEMBL15507195 0.82 PDK2 (0.43) MEN1KMT2AALDH1A1KDM4EGAA
SCHEMBL16982497 0.81 KMT2A (0.53) L3MBTL1MEN1KMT2AALDH1A1KDM4E
SCHEMBL16982337 0.80 MEN1 (0.68) L3MBTL1MEN1KMT2AALDH1A1KDM4E
SCHEMBL15880409 0.80 ALDH1A1 (0.58) L3MBTL1MEN1KMT2AALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3099694-B1 COMPOUNDS GLAXOSMITHKLINE IP DEV LTD (GB) 2019-01-16 — — EP disclosed
US-9815841-B2 Compounds GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2017-11-14 — — US disclosed
US-9815841-B2 Compounds GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2017-11-14 — — US disclosed
US-9815841-B2 Compounds GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2017-11-14 — — US disclosed
US-20170022204-A1 COMPOUNDS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2017-01-26 — — US disclosed
US-20170022204-A1 COMPOUNDS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2017-01-26 — — US disclosed
US-20170022204-A1 COMPOUNDS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2017-01-26 — — US disclosed
WO-2015113451-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 (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-20170022204-A1 COMPOUNDS LRRK2, PARK7, PINK1 L3MBTL1 491/4885MEN1 4512/4885KMT2A 2719/4885

“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.

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