SCHEMBL2832503

SCHEMBL2832503

N#Cc1ccccc1COc1ccc([C@H]2CC[C@]3(CCNC3=O)N2C(=O)O)cc1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 3/20 0.49
FFAR1 O14842 1/20 0.45
MMP1 P03956 3/20 0.40
ADAM17 P78536 2/20 0.40
ALKBH1 Q13686 1/20 0.40
MAOB P27338 2/20 0.39
ADAMTS4 O75173 1/20 0.37
MMP13 P45452 1/20 0.37
ALDH1A1 P00352 1/20 0.37
ALOX15 P16050 1/20 0.37
SPHK2 Q9NRA0 1/20 0.35
MET P08581 1/20 0.35
XDH P47989 1/20 0.35
SCN3A Q9NY46 2/20 0.34
KMT2A Q03164 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
SCHEMBL483666 0.88 KCNH2 (0.45) KCNH2FFAR1MMP1ADAM17MAOB
SCHEMBL2835400 0.86 KCNH2 (0.50) KCNH2MAOBSCN3A
SCHEMBL2836104 0.86 KCNH2 (0.50) KCNH2MAOBSCN3A
SCHEMBL2831512 0.84 KCNH2 (0.47) KCNH2
SCHEMBL2837215 0.81 KCNH2 (0.48) KCNH2MAOBSCN3A
SCHEMBL2834508 0.81 KCNH2 (0.48) KCNH2MAOBSCN3A
SCHEMBL2833719 0.80 KCNH2 (0.55) KCNH2FFAR1MMP1ADAM17ALKBH1
SCHEMBL2832474 0.77 KCNH2 (0.42) KCNH2MAOBALDH1A1SPHK2SCN3A
SCHEMBL483669 0.76 FFAR1 (0.42) KCNH2FFAR1MMP1ADAM17ALKBH1
SCHEMBL483508 0.75 KCNH2 (0.53) KCNH2FFAR1MMP1ADAM17MAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100324022-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2010-12-23 US disclosed
US-7803833-B2 Compounds GLAXO GROUP LIMITED (GB) 2010-09-28 US disclosed
US-20080293753-A1 Novel Compounds Convergence Pharmaceuticals Limited (GB) 2008-11-27 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-20100324022-A1 NOVEL COMPOUNDS CYP46A1, NPC1, CYP11B1 KCNH2 3260/4885FFAR1 1067/4885MMP1 3314/4885
US-20080293753-A1 Novel Compounds CACNA1E, CACNA1A, SCN1B KCNH2 15/4885FFAR1 829/4885MMP1 4738/4885

“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.