SCHEMBL6347285

SCHEMBL6347285

COc1ccc(C(=O)N(CC(=O)N2CCC(Oc3ccccn3)CC2)c2ccccn2)cc1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.51
TRPM8 Q7Z2W7 2/20 0.49
MAPT P10636 2/20 0.44
THRB P10828 1/20 0.43
TP53 P04637 2/20 0.42
EPHX2 P34913 1/20 0.42
ALDH1A1 P00352 2/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
HTR1A P08908 1/20 0.42
ADRA1A P35348 1/20 0.42
NPC1 O15118 1/20 0.41
MEN1 O00255 1/20 0.41
BLM P54132 1/20 0.41
PMP22 Q01453 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL6347249 0.91 ACHE (0.47) POLBTRPM8MAPTEPHX2ALDH1A1
SCHEMBL6347346 0.90 TRPM8 (0.48) POLBTRPM8MAPTALDH1A1KMT2A
SCHEMBL6346040 0.82 KDM4E (0.43) POLBMAPTEPHX2ALDH1A1CYP3A4
SCHEMBL6353524 0.81 KDM5A (0.39) TP53EPHX2ALDH1A1CYP3A4HTR1A
SCHEMBL6344507 0.80 EPHX2 (0.44) POLBEPHX2
SCHEMBL6354907 0.80 EPHX2 (0.38) TRPM8EPHX2ALDH1A1
SCHEMBL6341787 0.79 SIGLEC9 (0.49) POLBTRPM8MAPTEPHX2ALDH1A1
SCHEMBL6346963 0.79 ACHE (0.52) POLBMAPTEPHX2MEN1KMT2A
SCHEMBL6354271 0.78 ACHE (0.52) POLBMAPTEPHX2MEN1KMT2A
SCHEMBL6347280 0.78 MAPT (0.48) POLBMAPTEPHX2ALDH1A1CYP3A4

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 POLB 4589/4885TRPM8 4027/4885MAPT 4821/4885
US-20040242656-A1 Serine protease inhibitors SERPINE1, PRSS1, SERPINB1 POLB 4543/4885TRPM8 4280/4885MAPT 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.