SCHEMBL3538525

SCHEMBL3538525

O=C(N[C@H]1CC[C@@H](F)C1)OCc1ccccc1

nearest known ligand 0.67

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.67
GAA P10253 1/20 0.67
TSHR P16473 1/20 0.64
EPHX1 P07099 1/20 0.56
DPP4 P27487 5/20 0.56
DPP7 Q9UHL4 5/20 0.56
KCNH2 Q12809 3/20 0.56
TLR4 O00206 1/20 0.56
CTSL P07711 1/20 0.54
CTSB P07858 1/20 0.54
CTSK P43235 1/20 0.54
KDM1A O60341 1/20 0.52
MAOB P27338 1/20 0.52
CPB1 P15086 2/20 0.51
HSD11B1 P28845 1/20 0.49

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
SCHEMBL18623681 1.00 ALDH1A1 (0.67) ALDH1A1GAATSHREPHX1DPP4
SCHEMBL5493045 0.92 ALDH1A1 (0.74) ALDH1A1GAATSHREPHX1DPP4
SCHEMBL5493043 0.92 ALDH1A1 (0.74) ALDH1A1GAATSHREPHX1DPP4
SCHEMBL19408982 0.89 ALDH1A1 (0.70) ALDH1A1GAATSHREPHX1DPP4
SCHEMBL381922 0.87 ALDH1A1 (0.85) ALDH1A1GAATSHREPHX1DPP4
SCHEMBL3948456 0.87 ALDH1A1 (0.85) ALDH1A1GAATSHREPHX1DPP4
SCHEMBL3948461 0.87 ALDH1A1 (0.85) ALDH1A1GAATSHREPHX1DPP4
SCHEMBL28672916 0.85 ALDH1A1 (0.62) ALDH1A1GAATSHREPHX1DPP4
SCHEMBL30151806 0.85 ALDH1A1 (0.62) ALDH1A1GAATSHREPHX1DPP4
SCHEMBL26342515 0.85 ALDH1A1 (0.62) ALDH1A1GAATSHREPHX1DPP4

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
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
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
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
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
US-7829586-B2 Aryl-substituted nitrogen-containing heterocyclic compounds BANYU PHARMACEUTICAL CO., LTD. (JP) 2010-11-09 US disclosed
US-20090275617-A1 Aryl-Substituted Nitrogen-Containing Heterocyclic Compounds MSD K.K. (JP) 2009-11-05 US disclosed
EP-1935881-A1 ARYL-SUBSTITUTED NITROGEN-CONTAINING HETEROCYCLIC COMPOUND BANYU PHARMACEUTICAL CO., LTD. (JP) 2008-06-25 EP 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-20170073343-A1 Novel Imidazo[4,5-c]Quinoline And Imidazo[4,5-c][1,5]Naphthyridine Derivatives As LRRK2 Inhibitors LRRK2, PARK7, SNCA ALDH1A1 1764/4885GAA 376/4885TSHR 1893/4885
US-20090275617-A1 Aryl-Substituted Nitrogen-Containing Heterocyclic Compounds OPRL1, NPSR1, NPBWR1 ALDH1A1 1623/4885GAA 3764/4885TSHR 220/4885
US-10039753-B2 Imidazo[4,5-c]quinoline and imidazo[4,5-c][1,5]naphthyridine derivatives as LRRK2 inhibitors LRRK2, PARK7, SNCA ALDH1A1 1603/4885GAA 270/4885TSHR 2155/4885

“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.