SCHEMBL13531824

SCHEMBL13531824

CS(=O)(=O)N1CCc2cc(-c3nc(CC4CCNCC4)no3)ccc2C1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 1/20 0.42
▸ ESR2 Q92731 1/20 0.42
▸ S1PR1 P21453 4/20 0.39
▸ PLAT P00750 2/20 0.39
▸ HTT P42858 1/20 0.39
▸ KDM2B Q8NHM5 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ GPR119 Q8TDV5 1/20 0.36
▸ CHRM5 P08912 2/20 0.35
▸ CHRM1 P11229 2/20 0.35
▸ CHRM2 P08172 1/20 0.35
▸ CHRM4 P08173 1/20 0.35
▸ CHRM3 P20309 1/20 0.35
▸ TP53 P04637 1/20 0.35
▸ CYP2D6 P10635 1/20 0.34
▸ HRH3 Q9Y5N1 1/20 0.34
▸ CHEK1 O14757 1/20 0.34
▸ AURKA O14965 1/20 0.34
▸ RPS6KA5 O75582 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
Hydrochloric Acid SCHEMBL3181917 0.99 ESR1 (0.42) ESR1ESR2S1PR1PLATHTT
SCHEMBL3182464 0.86 ESR1 (0.43) ESR1ESR2S1PR1HTTKDM2B
SCHEMBL3181977 0.85 ESR1 (0.39) ESR1ESR2S1PR1HTTKDM2B
SCHEMBL13531825 0.84 CNR1 (0.49) ESR1ESR2S1PR1HTTKDM2B
Hydrochloric Acid SCHEMBL3178628 0.83 CNR1 (0.48) ESR1ESR2S1PR1HTTKDM2B
SCHEMBL3189387 0.83 AVPR1A (0.41) ESR1ESR2HTTLMNAKMT2A
SCHEMBL3188612 0.83 ESR1 (0.37) ESR1ESR2HTTKDM2BLMNA
SCHEMBL3181559 0.83 GPR119 (0.40) ESR1ESR2S1PR1KDM2BGPR119
SCHEMBL3188606 0.82 USP30 (0.46) ESR2GPR119
SCHEMBL3178944 0.82 GPR119 (0.41) ESR1ESR2GPR119

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 1 patent. 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

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 218/4885S1PR1 528/4885

“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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