SCHEMBL15720398

SCHEMBL15720398

CC(C)(N)Cc1c(-c2cccc(Cl)c2)nc2c(Br)cc(Cl)cn12

nearest known ligand 0.64

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ TRPA1 O75762 8/20 0.64
▸ AKT1 P31749 1/20 0.41
▸ PSMD14 O00487 2/20 0.40
▸ PRNP P04156 2/20 0.39
▸ SLC2A1 P11166 1/20 0.35

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
SCHEMBL15720413 0.84 TRPA1 (0.66) TRPA1PSMD14PRNP
SCHEMBL15720498 0.81 TRPA1 (0.64) TRPA1PSMD14PRNPSLC2A1
SCHEMBL15720399 0.78 TRPA1 (1.00) TRPA1AKT1
SCHEMBL15720555 0.66 TRPA1 (0.64) TRPA1PSMD14PRNPSLC2A1
SCHEMBL15720415 0.63 TRPA1 (1.00) TRPA1PRNP
SCHEMBL1691717 0.62 TSPO (0.52) —
SCHEMBL15720499 0.61 TRPA1 (1.00) TRPA1
SCHEMBL5222434 0.60 SLC6A2 (0.59) —
SCHEMBL12495322 0.60 RORB (0.53) —
SCHEMBL1692150 0.59 TSPO (0.51) —

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-9394304-B2 Imidazopyridine derivatives HOFFMANN-LA ROCHE INC. (US) 2016-07-19 — — US claimed
EP-2920169-A1 IMIDAZOPYRIDINE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2015-09-23 — — EP claimed
US-20150246918-A1 IMIDAZOPYRIDINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2015-09-03 — — US claimed
WO-2014076021-A1 IMIDAZOPYRIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2014-05-22 — — WO claimed
US-9394304-B2 Imidazopyridine derivatives HOFFMANN-LA ROCHE INC. (US) 2016-07-19 — — US disclosed
EP-2920169-A1 IMIDAZOPYRIDINE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2015-09-23 — — EP disclosed
US-20150246918-A1 IMIDAZOPYRIDINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2015-09-03 — — US disclosed
WO-2014076021-A1 IMIDAZOPYRIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2014-05-22 — — 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-20150246918-A1 IMIDAZOPYRIDINE DERIVATIVES QDPR, ADRB3, HRH4 TRPA1 882/4885AKT1 3993/4885PSMD14 2224/4885

“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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