SCHEMBL3176300

SCHEMBL3176300

CS(=O)(=O)N1CCc2nc(OCCCc3ccc(Br)cn3)ncc2C1

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 3/20 0.36
▸ HSP90AA1 P07900 11/20 0.36
▸ HSP90B1 P14625 7/20 0.36
▸ NPC1 O15118 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ PDE10A Q9Y233 1/20 0.33
▸ ATM Q13315 1/20 0.33
▸ ESR1 P03372 1/20 0.32
▸ ESR2 Q92731 1/20 0.32
▸ TP53 P04637 1/20 0.32
▸ MAPT P10636 1/20 0.32

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
SCHEMBL13531869 0.80 HRH3 (0.53) HRH3ATMESR1ESR2
SCHEMBL3400161 0.76 HSP90AA1 (0.36) HRH3HSP90AA1HSP90B1NPC1RAB9A
SCHEMBL2247167 0.76 RAB9A (0.37) HRH3HSP90AA1HSP90B1NPC1RAB9A
SCHEMBL720663 0.75 HSP90AA1 (0.46) HRH3HSP90AA1HSP90B1NPC1RAB9A
SCHEMBL2248670 0.73 ITGB3 (0.36) HRH3HSP90AA1HSP90B1
SCHEMBL2246587 0.73 USP1 (0.36) HRH3HSP90AA1HSP90B1NPC1RAB9A
SCHEMBL2181393 0.72 ESR1 (0.41) HRH3HSP90AA1NPC1RAB9AESR1
SCHEMBL2245827 0.71 NPC1 (0.39) HRH3NPC1RAB9AESR1ESR2
SCHEMBL3405712 0.71 HSP90AA1 (0.41) HSP90AA1HSP90B1
SCHEMBL2246205 0.69 ESR1 (0.42) HRH3NPC1RAB9AESR1ESR2

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 HRH3 665/4885HSP90AA1 1290/4885HSP90B1 1971/4885

“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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