SCHEMBL1642265

SCHEMBL1642265

C#Cc1cccnc1OC1CCCCC1.c1cc2cc-2c1

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 3/20 0.40
FEN1 P39748 3/20 0.40
FFAR4 Q5NUL3 10/20 0.39
MKNK1 Q9BUB5 1/20 0.38
MKNK2 Q9HBH9 1/20 0.38
LRRK2 Q5S007 3/20 0.37
LOX P28300 1/20 0.35
LOXL2 Q9Y4K0 1/20 0.35
DHODH Q02127 1/20 0.34

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
SCHEMBL29324504 0.77 IP6K1 (0.42) ALOX5APFEN1FFAR4LRRK2
SCHEMBL16464454 0.76 IP6K1 (0.43) ALOX5APFEN1FFAR4LRRK2
SCHEMBL16054252 0.73 IP6K1 (0.43) ALOX5APFEN1FFAR4LRRK2
SCHEMBL1644419 0.72 IRAK1 (0.41)
SCHEMBL1644676 0.72 DHODH (0.35) ALOX5APFEN1FFAR4LRRK2DHODH
SCHEMBL23761282 0.69 IP6K1 (0.44) ALOX5APFEN1
SCHEMBL9574598 0.69 ALOX5AP (0.47) ALOX5APFEN1FFAR4LRRK2LOX
SCHEMBL29846953 0.69 IP6K1 (0.44) ALOX5APFEN1
SCHEMBL31441684 0.69 LRRK2 (0.44) ALOX5APFEN1FFAR4LRRK2LOX
SCHEMBL15936749 0.69 LRRK2 (0.44) ALOX5APFEN1FFAR4LRRK2LOX

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
EP-2493856-B1 POSITIVE ALLOSTERIC MODULATORS (PAM) HOFFMANN LA ROCHE (CH) 2016-04-27 EP disclosed
US-8716316-B2 Positive allosteric modulators (PAM) HOFFMANN-LA ROCHE INC. (US) 2014-05-06 US disclosed
US-20130131056-A1 POSITIVE ALLOSTERIC MODULATORS (PAM) HOFFMANN-LA ROCHE INC. (US) 2013-05-23 US disclosed
US-8389536-B2 Positive allosteric modulators (PAM) HOFFMANN-LA ROCHE INC. (US) 2013-03-05 US disclosed
EP-2493856-A1 POSITIVE ALLOSTERIC MODULATORS (PAM) F. Hoffmann-La Roche AG (CH) 2012-09-05 EP disclosed
WO-2011051201-A1 POSITIVE ALLOSTERIC MODULATORS (PAM) F. HOFFMANN-LA ROCHE AG (CH) 2011-05-05 WO disclosed
US-20110098313-A1 POSITIVE ALLOSTERIC MODULATORS (PAM) HOFFMANN-LA ROCHE, INC. 2011-04-28 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-20110098313-A1 POSITIVE ALLOSTERIC MODULATORS (PAM) GRM5, GRM1, GRM2 ALOX5AP 1201/4885FEN1 4536/4885FFAR4 195/4885
US-20130131056-A1 POSITIVE ALLOSTERIC MODULATORS (PAM) GRM5, GRM1, GRM2 ALOX5AP 1201/4885FEN1 4536/4885FFAR4 195/4885

“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.