SCHEMBL6886586

SCHEMBL6886586

c1ccc(-c2ccc(OC3CCCCC3)nc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.46
HRH3 Q9Y5N1 7/20 0.43
DGAT1 O75907 2/20 0.42
KCNH2 Q12809 2/20 0.41
MKNK1 Q9BUB5 1/20 0.40
MKNK2 Q9HBH9 1/20 0.40
LOX P28300 1/20 0.40
LOXL2 Q9Y4K0 1/20 0.40
ADORA2A P29274 1/20 0.40
NAMPT P43490 1/20 0.39
TDO2 P48775 1/20 0.39
AKT1 P31749 1/20 0.38
AKT2 P31751 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
SCHEMBL16691262 0.86 HRH3 (0.43) HRH3KCNH2MKNK1MKNK2LOX
SCHEMBL7464016 0.79 PAICS (0.48) FAAHMKNK1MKNK2TDO2
SCHEMBL1642262 0.77 ACACB (0.57)
SCHEMBL10231904 0.75 NAAA (0.57) FAAH
SCHEMBL624868 0.75 LOX (0.42) HRH3KCNH2MKNK1MKNK2LOX
SCHEMBL16924081 0.75 LOX (0.43) HRH3KCNH2LOXLOXL2NAMPT
SCHEMBL15147591 0.75 PDGFRB (0.44) HRH3LOXLOXL2
SCHEMBL3651197 0.75 LOX (0.46) HRH3LOXLOXL2
SCHEMBL30748869 0.75 LOX (0.46) HRH3LOXLOXL2
SCHEMBL625001 0.75 DGAT1 (0.46) HRH3DGAT1KCNH2LOXLOXL2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8389536-B2 Positive allosteric modulators (PAM) HOFFMANN-LA ROCHE INC. (US) 2013-03-05 US 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 (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-20110098313-A1 POSITIVE ALLOSTERIC MODULATORS (PAM) GRM5, GRM1, GRM2 FAAH 3207/4885HRH3 502/4885DGAT1 2779/4885

“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.