SCHEMBL3171868

SCHEMBL3171868

CCc1ccc(N2CCC(Cc3noc(-c4ccc5c(c4)CCN(S(C)(=O)=O)C5)n3)CC2)nn1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 1/20 0.36
▸ ESR2 Q92731 1/20 0.36
▸ GPR119 Q8TDV5 2/20 0.34
▸ HTT P42858 1/20 0.34
▸ TP53 P04637 1/20 0.34
▸ CNR1 P21554 2/20 0.33
▸ CNR2 P34972 2/20 0.33
▸ S1PR1 P21453 2/20 0.33
▸ KDM2B Q8NHM5 1/20 0.33
▸ LMNA P02545 2/20 0.32
▸ GAA P10253 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ SCD O00767 1/20 0.31
▸ CHRM4 P08173 2/20 0.31
▸ CHRM2 P08172 1/20 0.31
▸ CHRM5 P08912 1/20 0.31
▸ CHRM1 P11229 1/20 0.31
▸ CHRM3 P20309 1/20 0.31
▸ CHEK1 O14757 1/20 0.30
▸ AURKA O14965 1/20 0.30

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
SCHEMBL3177263 0.85 GPR119 (0.41) ESR1ESR2GPR119HTTLMNA
SCHEMBL3189387 0.84 AVPR1A (0.41) ESR1ESR2GPR119HTTTP53
SCHEMBL3178944 0.83 GPR119 (0.41) ESR1ESR2GPR119KDM4E
SCHEMBL3181977 0.83 ESR1 (0.39) ESR1ESR2GPR119HTTS1PR1
SCHEMBL3177435 0.82 GPR119 (0.45) GPR119S1PR1LMNAGAAKMT2A
SCHEMBL13531824 0.81 ESR1 (0.42) ESR1ESR2GPR119HTTTP53
SCHEMBL3182464 0.81 ESR1 (0.43) ESR1ESR2GPR119HTTS1PR1
SCHEMBL3188612 0.81 ESR1 (0.37) ESR1ESR2GPR119HTTKDM2B
Hydrochloric Acid SCHEMBL3181917 0.81 ESR1 (0.42) ESR1ESR2GPR119HTTTP53
SCHEMBL3181559 0.77 GPR119 (0.40) ESR1ESR2GPR119S1PR1KDM2B

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 ESR1 638/4885ESR2 218/4885GPR119 1/4885

“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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