SCHEMBL3186533

SCHEMBL3186533

CC(C)OC(=O)N1CCc2cc(-c3nc(-c4ccc5c(c4)CCN(S(C)(=O)=O)C5)no3)ccc2C1

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ S1PR1 P21453 16/20 0.47
▸ S1PR3 Q99500 7/20 0.47
▸ KCNH2 Q12809 2/20 0.46
▸ ESR1 P03372 1/20 0.43
▸ ESR2 Q92731 1/20 0.43
▸ ABHD6 Q9BV23 2/20 0.41
▸ KDM2B Q8NHM5 1/20 0.40

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
SCHEMBL3184635 0.84 HTT (0.50) S1PR1S1PR3ESR1ESR2
SCHEMBL3181559 0.83 GPR119 (0.40) S1PR1S1PR3KCNH2ESR1ESR2
SCHEMBL3176572 0.82 CNR1 (0.46) S1PR1S1PR3KCNH2ESR1ESR2
SCHEMBL3181594 0.81 GPR119 (0.38) S1PR1S1PR3KCNH2ESR1ESR2
SCHEMBL3170801 0.74 S1PR1 (0.52) S1PR1ESR1ESR2ABHD6
SCHEMBL452004 0.73 ESR2 (0.50) S1PR1S1PR3KCNH2ESR2
SCHEMBL14116679 0.72 KDM2B (0.38) S1PR1S1PR3KCNH2ESR1ESR2
SCHEMBL4439011 0.72 HTT (0.55) ESR1ESR2KDM2B
SCHEMBL3182464 0.72 ESR1 (0.43) S1PR1S1PR3ESR1ESR2KDM2B
SCHEMBL15970838 0.72 ESR2 (0.46) S1PR1S1PR3KCNH2ESR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100022515-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF GPR119 ACTIVITY IRM LLC (BM) 2010-01-28 — — US claimed
EP-2114890-A2 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF GPR119 ACTIVITY IRM LLC (BM) 2009-11-11 — — EP claimed
WO-2008097428-A2 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF GPR119 ACTIVITY IRM LLC (BM) 2008-08-14 — — WO claimed
US-20100022515-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF GPR119 ACTIVITY IRM LLC (BM) 2010-01-28 — — US disclosed
US-20100022515-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF GPR119 ACTIVITY IRM LLC (BM) 2010-01-28 — — US disclosed
US-20100022515-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF GPR119 ACTIVITY IRM LLC (BM) 2010-01-28 — — US disclosed
EP-2114890-A2 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF GPR119 ACTIVITY IRM LLC (BM) 2009-11-11 — — EP disclosed
WO-2008097428-A2 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF GPR119 ACTIVITY IRM LLC (BM) 2008-08-14 — — 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-20100022515-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF GPR119 ACTIVITY GPR119, GCGR, GPR65 S1PR1 528/4885S1PR3 588/4885KCNH2 2256/4885

“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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