SCHEMBL18606286

SCHEMBL18606286

O=C(O)N[C@H]1CC[C@@H](F)C1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.38
POLB P06746 1/20 0.35
EPHX2 P34913 2/20 0.34
DPP4 P27487 1/20 0.33
MMP2 P08253 1/20 0.33
MMP8 P22894 1/20 0.33
GRIN1 Q05586 1/20 0.32
GRIN2B Q13224 1/20 0.32
EPHX1 P07099 5/20 0.31
NPC1 O15118 2/20 0.31
RAB9A P51151 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
MAPT P10636 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
CYP3A4 P08684 1/20 0.31
OPRL1 P41146 1/20 0.31
JAK3 P52333 3/20 0.30
BTK Q06187 1/20 0.30

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
SCHEMBL18606296 1.00 PKM (0.38) PKMPOLBEPHX2DPP4MMP2
SCHEMBL3041052 0.85 POLB (0.43) PKMPOLBEPHX2MMP2MMP8
SCHEMBL21813466 0.85
SCHEMBL3038102 0.85 POLB (0.43) PKMPOLBEPHX2MMP2MMP8
SCHEMBL3038104 0.85 POLB (0.43) PKMPOLBEPHX2MMP2MMP8
SCHEMBL5007222 0.85 POLB (0.41) PKMPOLBEPHX2MMP2MMP8
SCHEMBL15970550 0.85 POLB (0.41) PKMPOLBEPHX2MMP2MMP8
SCHEMBL31424983 0.82 PKM (0.35) PKMEPHX2DPP4MMP2MMP8
SCHEMBL6658887 0.79 EPHX2 (0.50) PKMPOLBEPHX2MMP2MMP8
SCHEMBL245467 0.79

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
EP-3350178-B1 NOVEL IMIDAZO [4,5-C]QUINOLINE AND IMIDAZO [4,5-C][1,5]NAPHTHYRIDINE DERIVATIVES AS LRRK2 INHIBITORS PFIZER (US) 2021-10-20 EP disclosed
US-10039753-B2 Imidazo[4,5-c]quinoline and imidazo[4,5-c][1,5]naphthyridine derivatives as LRRK2 inhibitors PFIZER INC. (US) 2018-08-07 US disclosed
EP-3350178-A1 NOVEL IMIDAZO [4,5-C]QUINOLINE AND IMIDAZO [4,5-C][1,5]NAPHTHYRIDINE DERIVATIVES AS LRRK2 INHIBITORS Pfizer Inc (US) 2018-07-25 EP disclosed
WO-2017046675-A1 NOVEL IMIDAZO [4,5-C] QUINOLINE AND IMIDAZO [4,5-C][1,5] NAPHTHYRIDINE DERIVATIVES AS LRRK2 INHIBITORS PFIZER INC. (US) 2017-03-23 WO disclosed
US-20170073343-A1 Novel Imidazo[4,5-c]Quinoline And Imidazo[4,5-c][1,5]Naphthyridine Derivatives As LRRK2 Inhibitors PFIZER INC. (US) 2017-03-16 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 (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-20170073343-A1 Novel Imidazo[4,5-c]Quinoline And Imidazo[4,5-c][1,5]Naphthyridine Derivatives As LRRK2 Inhibitors LRRK2, PARK7, SNCA PKM 1326/4885POLB 249/4885EPHX2 4068/4885
US-10039753-B2 Imidazo[4,5-c]quinoline and imidazo[4,5-c][1,5]naphthyridine derivatives as LRRK2 inhibitors LRRK2, PARK7, SNCA PKM 1279/4885POLB 224/4885EPHX2 4030/4885

“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.