SCHEMBL6347346

SCHEMBL6347346

COc1ccc(C(=O)N(CC(=O)N2CCC(Oc3ccncc3)CC2)c2ccccn2)cc1

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 1/20 0.48
POLB P06746 1/20 0.48
MAPT P10636 3/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
ALDH1A1 P00352 3/20 0.45
KMT2A Q03164 1/20 0.42

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
SCHEMBL6347285 0.90 POLB (0.51) TRPM8POLBMAPTALDH1A1KMT2A
SCHEMBL6347280 0.88 MAPT (0.48) POLBMAPTL3MBTL1ALDH1A1KMT2A
Hydrochloric Acid SCHEMBL6355505 0.84 MAPT (0.45) POLBMAPTL3MBTL1ALDH1A1KMT2A
SCHEMBL6346836 0.84 KDM4E (0.42) POLBMAPTL3MBTL1ALDH1A1
Trifluoroacetic Acid SCHEMBL6354143 0.83 ACHE (0.46) POLBMAPTL3MBTL1ALDH1A1KMT2A
SCHEMBL6346782 0.83 CYP3A4 (0.39) POLBMAPTL3MBTL1ALDH1A1KMT2A
Hydrochloric Acid SCHEMBL6346769 0.82 MAPT (0.43) MAPTL3MBTL1ALDH1A1KMT2A
SCHEMBL6346963 0.82 ACHE (0.52) POLBMAPTKMT2A
SCHEMBL6354873 0.82 EPHX2 (0.44) MAPTL3MBTL1ALDH1A1
SCHEMBL6343706 0.81 EPHX2 (0.40) MAPTL3MBTL1ALDH1A1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6878725-B2 Serine protease inhibitors ELI LILLY AND COMPANY (US) 2005-04-12 US disclosed
US-20040242656-A1 Serine protease inhibitors LIEBESCHUETZ JOHN WALTER (GB) 2004-12-02 US disclosed
EP-1289950-B1 SERINE PROTEASE INHIBITORS LILLY CO ELI (US) 2004-09-08 EP disclosed
US-20030078438-A1 Serine protease inhibitors ELI LILLY AND COMPANY 2003-04-24 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 (2 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-20030078438-A1 Serine protease inhibitors HPN, LPXN, PRSS1 TRPM8 4027/4885POLB 4589/4885MAPT 4821/4885
US-20040242656-A1 Serine protease inhibitors SERPINE1, PRSS1, SERPINB1 TRPM8 4280/4885POLB 4543/4885MAPT 4835/4885

“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.