SCHEMBL13014690

SCHEMBL13014690

N#Cc1ccc(C2CCCO2)cc1

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 3/20 0.44
HRH3 Q9Y5N1 2/20 0.44
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40
FASN P49327 8/20 0.39
POLB P06746 1/20 0.39
CYP19A1 P11511 2/20 0.37
CYP11B1 P15538 2/20 0.37
CYP11B2 P19099 2/20 0.37

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
SCHEMBL9906430 0.95 KCNH2 (0.46) KCNH2HRH3MAOAMAOBFASN
SCHEMBL28935583 0.90 MAOA (0.39) KCNH2MAOAMAOBCYP19A1CYP11B1
SCHEMBL19662088 0.84 KCNH2 (0.50) KCNH2HRH3
SCHEMBL4699085 0.80 DRD2 (0.51) POLBCYP19A1
SCHEMBL13818581 0.79 KCNH2 (0.43) KCNH2HRH3FASN
SCHEMBL13818537 0.79 KCNH2 (0.43) KCNH2HRH3FASN
SCHEMBL1226208 0.78 TSHR (0.50) MAOAMAOBCYP19A1
SCHEMBL1225840 0.78 TSHR (0.50) MAOAMAOBCYP19A1
SCHEMBL1225841 0.78 TSHR (0.50) MAOAMAOBCYP19A1
SCHEMBL1779534 0.77 CYP11B1 (0.41) KCNH2MAOAMAOBCYP19A1CYP11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100324001-A1 Novel Methods for the Treatment of Inflammatory Diseases CORTICAL PTY LTD (AU) 2010-12-23 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-20100324001-A1 Novel Methods for the Treatment of Inflammatory Diseases MIF, CCL2, CCL11 KCNH2 4804/4885HRH3 1206/4885MAOA 2413/4885

“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.