SCHEMBL3184635

SCHEMBL3184635

CC(C)OC(=O)N1CCC(c2noc(-c3ccc4c(c3)CCN(S(C)(=O)=O)C4)n2)CC1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 1/20 0.50
▸ LMNA P02545 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ USP30 Q70CQ3 1/20 0.46
▸ GPR119 Q8TDV5 7/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ USP7 Q93009 1/20 0.42
▸ ESR1 P03372 1/20 0.41
▸ ESR2 Q92731 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ S1PR1 P21453 1/20 0.38
▸ S1PR3 Q99500 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
SCHEMBL3181559 0.87 GPR119 (0.40) GPR119ESR1ESR2S1PR1S1PR3
SCHEMBL4439011 0.86 HTT (0.55) HTTLMNAKMT2AUSP30GPR119
SCHEMBL3181594 0.85 GPR119 (0.38) USP30GPR119ESR1ESR2S1PR1
SCHEMBL3186533 0.84 S1PR1 (0.47) ESR1ESR2S1PR1S1PR3
SCHEMBL3178836 0.84 GPR119 (0.43) GPR119SMN1; SMN2ESR1ESR2S1PR1
SCHEMBL3176572 0.79 CNR1 (0.46) LMNAGPR119SMN1; SMN2ESR1ESR2
SCHEMBL3181412 0.77 GPR119 (0.57) GPR119ESR1ESR2
SCHEMBL3188606 0.76 USP30 (0.46) USP30GPR119ESR2
SCHEMBL3188669 0.75 GPR119 (0.42) HTTLMNAKMT2AUSP30GPR119
SCHEMBL3182464 0.75 ESR1 (0.43) HTTLMNAKMT2AUSP30GPR119

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 5 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
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 HTT 2832/4885LMNA 3407/4885KMT2A 3065/4885

“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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