SCHEMBL3182464

SCHEMBL3182464

CS(=O)(=O)N1CCc2cc(-c3nc(CC4CCN(C(=O)O)CC4)no3)ccc2C1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 1/20 0.43
▸ ESR2 Q92731 1/20 0.43
▸ CHRM2 P08172 1/20 0.39
▸ CHRM4 P08173 1/20 0.39
▸ CHRM5 P08912 1/20 0.39
▸ CHRM1 P11229 1/20 0.39
▸ CHRM3 P20309 1/20 0.39
▸ KDM2B Q8NHM5 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ GPR119 Q8TDV5 1/20 0.38
▸ S1PR1 P21453 9/20 0.37
▸ HTT P42858 1/20 0.37
▸ S1PR3 Q99500 3/20 0.36
▸ LMNA P02545 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ CPT2 P23786 1/20 0.35
▸ CPT1A P50416 1/20 0.35
▸ USP30 Q70CQ3 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
SCHEMBL3181559 0.89 GPR119 (0.40) ESR1ESR2KDM2BGPR119S1PR1
SCHEMBL3188606 0.88 USP30 (0.46) ESR2GPR119USP30
SCHEMBL3188669 0.87 GPR119 (0.42) ESR1ESR2CHRM2CHRM4CHRM5
SCHEMBL13531824 0.86 ESR1 (0.42) ESR1ESR2CHRM2CHRM4CHRM5
Hydrochloric Acid SCHEMBL3181917 0.85 ESR1 (0.42) ESR1ESR2CHRM2CHRM4CHRM5
SCHEMBL3186686 0.85 CNR1 (0.49) ESR1ESR2KDM2BALDH1A1L3MBTL1
SCHEMBL3181977 0.84 ESR1 (0.39) ESR1ESR2CHRM2CHRM4CHRM5
SCHEMBL3189387 0.82 AVPR1A (0.41) ESR1ESR2ALDH1A1GPR119HTT
SCHEMBL3188612 0.82 ESR1 (0.37) ESR1ESR2CHRM2CHRM4CHRM5
SCHEMBL3181594 0.82 GPR119 (0.38) ESR1ESR2GPR119S1PR1S1PR3

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-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 ESR1 638/4885ESR2 218/4885CHRM2 639/4885

“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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