SCHEMBL6346829

SCHEMBL6346829

COc1ccc(C(=O)N(CC(=O)N2CCC(Nc3cccnc3)CC2)c2ccccc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SIGLEC9 Q9Y336 2/20 0.51
▸ ACHE P22303 1/20 0.45
▸ EPHX2 P34913 1/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ C3AR1 Q16581 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.42
▸ POLB P06746 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ LMNA P02545 1/20 0.42
▸ GAA P10253 1/20 0.42
▸ NOS3 P29474 1/20 0.41
▸ NOS1 P29475 1/20 0.41
▸ NOS2 P35228 1/20 0.41
▸ CHRNB2 P17787 1/20 0.41
▸ CHRNA7 P36544 1/20 0.41
▸ CHRNA4 P43681 1/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ CCR6 P51684 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ DRD2 P14416 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
SCHEMBL6341787 0.89 SIGLEC9 (0.49) SIGLEC9EPHX2RAB9AC3AR1HSD17B10
SCHEMBL6217271 0.86 C3AR1 (0.47) ACHERAB9AC3AR1HSD17B10POLB
SCHEMBL6346334 0.84 ALDH1A1 (0.48) ACHEEPHX2POLBKMT2AMEN1
SCHEMBL6216436 0.82 ACHE (0.47) ACHERAB9AHSD17B10POLBKMT2A
SCHEMBL6354632 0.82 SIGLEC9 (0.44) SIGLEC9EPHX2POLB
SCHEMBL6343306 0.81 SIGLEC9 (0.51) SIGLEC9EPHX2RAB9AC3AR1ALDH1A1
SCHEMBL4835920 0.81 ACHE (0.55) ACHERAB9APOLBKMT2ALMNA
SCHEMBL6345615 0.81 SIGLEC9 (0.47) SIGLEC9EPHX2C3AR1ALDH1A1
SCHEMBL6215237 0.80 ACHE (0.54) ACHERAB9APOLBKMT2AGAA
SCHEMBL6347280 0.79 MAPT (0.48) ACHEEPHX2POLBKMT2ALMNA

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 12 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-6855715-B1 Serine protease inhibitors ELI LILLY AND COMPANY (US) 2005-02-15 — — US disclosed
US-20050032790-A1 For example, 1-(2-Amino-4-chlorobenzoyl-D-phenylglycinyl)-4,4'-bispiperidine; for treatment of thrombosis, emphysema, cirrhosis; antiarthritic agents, anticancer agents, antihistamines LIEBESCHUETZ JOHN WALTER (GB) 2005-02-10 — — 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
EP-1289950-A1 SERINE PROTEASE INHIBITORS ELI LILLY AND COMPANY (US) 2003-03-12 — — EP disclosed
EP-1192135-A2 SERINE PROTEASE INHIBITORS ELI LILLY AND COMPANY (US) 2002-04-03 — — EP disclosed
EP-1192132-A2 SERINE PROTEASE INHIBITORS ELI LILLY AND COMPANY (US) 2002-04-03 — — EP disclosed
WO-2001096296-A1 SERINE PROTEASE INHIBITORS ELI LILLY AND COMPANY (US) 2001-12-20 — — WO disclosed
WO-2000076970-A2 SERINE PROTEASE INHIBITORS ELI LILLY AND COMPANY (US) 2000-12-21 — — WO disclosed
WO-2000076971-A2 SERINE PROTEASE INHIBITORS ELI LILLY AND COMPANY (US) 2000-12-21 — — 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 (3 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 SIGLEC9 667/4885ACHE 1821/4885EPHX2 1259/4885
US-20050032790-A1 For example, 1-(2-Amino-4-chlorobenzoyl-D-phenylglycinyl)-4,4'-bispiperidine; for treatment of thrombosis, emphysema, cirrhosis; antiarthritic agents, anticancer agents, antihistamines SERPINB1, SERPINE1, SERPINH1 SIGLEC9 734/4885ACHE 1271/4885EPHX2 777/4885
US-20040242656-A1 Serine protease inhibitors SERPINE1, PRSS1, SERPINB1 SIGLEC9 925/4885ACHE 2174/4885EPHX2 1576/4885

“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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