SCHEMBL3670941

SCHEMBL3670941

CC(=O)Oc1ccc(-c2nc3c(o2)CCN(C(C)=O)C3)cc1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ S1PR5 Q9H228 9/20 0.46
▸ S1PR3 Q99500 3/20 0.44
▸ S1PR1 P21453 3/20 0.44
▸ GRM5 P41594 9/20 0.42
▸ KCNH2 Q12809 2/20 0.40
▸ NPC1 O15118 1/20 0.38
▸ TP53 P04637 1/20 0.38
▸ PKM P14618 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ BTK Q06187 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
SCHEMBL28766798 0.92 S1PR5 (0.48) S1PR5S1PR3S1PR1GRM5KCNH2
SCHEMBL23306662 0.87 S1PR5 (0.42) S1PR5S1PR3S1PR1GRM5
SCHEMBL3665854 0.85 GRM5 (0.45) S1PR5S1PR3S1PR1GRM5KCNH2
SCHEMBL3671737 0.79 HRH3 (0.60) S1PR5S1PR3S1PR1GRM5KCNH2
SCHEMBL3671736 0.79 HRH3 (0.60) S1PR5S1PR3S1PR1GRM5KCNH2
SCHEMBL28766815 0.74 S1PR5 (0.46) S1PR5S1PR3S1PR1GRM5KCNH2
SCHEMBL15164308 0.73 ESR2 (0.50) S1PR5S1PR3S1PR1GRM5KCNH2
SCHEMBL505046 0.71 GRM5 (0.74) GRM5KCNH2
SCHEMBL14970403 0.71 GRM5 (0.42) GRM5KCNH2
SCHEMBL15166548 0.70 S1PR5 (0.64) S1PR5S1PR3S1PR1GRM5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100292188-A1 Compounds Comprising A Cyclobutoxy Group UCB PHARMA S.A. (BE) 2010-11-18 — — US disclosed
US-20100292188-A1 Compounds Comprising A Cyclobutoxy Group UCB PHARMA S.A. (BE) 2010-11-18 — — US disclosed
US-20100292188-A1 Compounds Comprising A Cyclobutoxy Group UCB PHARMA S.A. (BE) 2010-11-18 — — US disclosed
EP-2238144-A1 COMPOUNDS COMPRISING A CYCLOBUTOXY GROUP UCB Pharma, S.A. (BE) 2010-10-13 — — EP disclosed
WO-2009092764-A1 COMPOUNDS COMPRISING A CYCLOBUTOXY GROUP UCB PHARMA, S.A. (BE) 2009-07-30 — — WO disclosed
WO-2009092764-A1 COMPOUNDS COMPRISING A CYCLOBUTOXY GROUP UCB PHARMA, S.A. (BE) 2009-07-30 — — 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 (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-20100292188-A1 Compounds Comprising A Cyclobutoxy Group CYP11B2, CYP11B1, CYP4B1 S1PR5 1217/4885S1PR3 1037/4885S1PR1 1651/4885

“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.

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