SCHEMBL190777

SCHEMBL190777

Clc1cc(OC2CCCCC2)ccn1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LOX P28300 1/20 0.45
LOXL2 Q9Y4K0 1/20 0.45
LNPEP Q9UIQ6 11/20 0.41
ABL1 P00519 1/20 0.40
KMO O15229 2/20 0.40
PDGFRB P09619 1/20 0.39
PDGFRA P16234 1/20 0.39
HPGD P15428 1/20 0.39
LRRK2 Q5S007 1/20 0.38
GRM5 P41594 1/20 0.38
FDPS P14324 1/20 0.38

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
SCHEMBL17396860 0.95 LOX (0.40) LOXLOXL2LNPEPABL1KMO
SCHEMBL14636458 0.91 ROCK1 (0.40) LOXLOXL2LNPEPKMOLRRK2
SCHEMBL31678696 0.91 ROCK1 (0.40) LOXLOXL2LNPEPKMOLRRK2
SCHEMBL30187757 0.83 ROCK1 (0.55)
SCHEMBL2596263 0.83 PDE2A (0.41) LRRK2GRM5
SCHEMBL13806585 0.83 ROCK1 (0.55)
SCHEMBL12234578 0.81 HRH3 (0.47) LNPEPLRRK2
SCHEMBL23975906 0.79 KMO (0.40) LOXLOXL2KMOGRM5
SCHEMBL30694895 0.79 SLC6A4 (0.57)
SCHEMBL31678745 0.79 KMO (0.40) LOXLOXL2KMOGRM5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230348490-A1 POSITIVE ALLOSTERIC MODULATORS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M4 VANDERBILT UNIVERSITY 2023-11-02 US disclosed
US-20170369505-A1 POSITIVE ALLOSTERIC MODULATORS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M4 VANDERBILT UNIVERSITY 2017-12-28 US disclosed
EP-1986645-B1 GLUCOKINASE ACTIVATORS ARRAY BIOPHARMA INC (US) 2012-01-04 EP disclosed
US-8022222-B2 Glucokinase activators ARRAY BIOPHARMA, INC. (US) 2011-09-20 US disclosed
US-20090247526-A1 GLUCOKINASE ACTIVATORS ARRAY BIOPHARMA INC. (US) 2009-10-01 US disclosed
EP-1986645-A1 GLUCOKINASE ACTIVATORS Array Biopharma, Inc. (US) 2008-11-05 EP disclosed
WO-2007089512-A1 GLUCOKINASE ACTIVATORS ARRAY BIOPHARMA INC. (US) 2007-08-09 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-20230348490-A1 POSITIVE ALLOSTERIC MODULATORS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M4 CHRM4, CHRM5, CHRM2 LOX 2915/4885LOXL2 4115/4885LNPEP 3629/4885
US-20090247526-A1 GLUCOKINASE ACTIVATORS GCKR, GCK, GALK1 LOX 1610/4885LOXL2 2729/4885LNPEP 4194/4885
US-20170369505-A1 POSITIVE ALLOSTERIC MODULATORS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M4 CHRM4, CHRM5, CHRM2 LOX 2915/4885LOXL2 4115/4885LNPEP 3629/4885

“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.