SCHEMBL3189387

SCHEMBL3189387

CS(=O)(=O)N1CCc2cc(-c3nc(CC4CCN(c5ccccn5)CC4)no3)ccc2C1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AVPR1A P37288 2/20 0.41
▸ AVPR2 P30518 1/20 0.41
▸ KCNH2 Q12809 1/20 0.41
▸ ALDH1A1 P00352 4/20 0.39
▸ HSD17B10 Q99714 3/20 0.39
▸ TSHR P16473 2/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ GPR119 Q8TDV5 2/20 0.39
▸ USP2 O75604 2/20 0.38
▸ LMNA P02545 2/20 0.38
▸ KDM4E B2RXH2 3/20 0.37
▸ MAPT P10636 2/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ ESR1 P03372 1/20 0.37
▸ ESR2 Q92731 1/20 0.37
▸ USP30 Q70CQ3 1/20 0.37
▸ GRIN2D O15399 1/20 0.37
▸ GRIN3B O60391 1/20 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
SCHEMBL3181977 0.91 ESR1 (0.39) ALDH1A1HSD17B10TSHRGPR119LMNA
SCHEMBL3177263 0.88 GPR119 (0.41) GPR119LMNAKMT2AESR1ESR2
SCHEMBL3177435 0.85 GPR119 (0.45) GPR119LMNAKDM4EKMT2A
SCHEMBL3171868 0.84 ESR1 (0.36) ALDH1A1HSD17B10GPR119LMNAKDM4E
SCHEMBL3188612 0.84 ESR1 (0.37) GPR119LMNAKMT2AESR1ESR2
SCHEMBL3178944 0.83 GPR119 (0.41) GPR119KDM4EESR1ESR2
SCHEMBL13531824 0.83 ESR1 (0.42) CYP2D6GPR119LMNAKMT2AESR1
SCHEMBL3182464 0.82 ESR1 (0.43) ALDH1A1GPR119LMNAKMT2AESR1
Hydrochloric Acid SCHEMBL3181917 0.82 ESR1 (0.42) CYP2D6GPR119LMNAKMT2AESR1
SCHEMBL3176116 0.80 SMN1; SMN2 (0.42) ALDH1A1TSHRGPR119LMNAKDM4E

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 AVPR1A 1165/4885AVPR2 997/4885KCNH2 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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