SCHEMBL6217271

SCHEMBL6217271

COc1ccc(C(=O)N(CC(=O)N2CCC(NCc3cccnc3)CC2)c2ccccc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ C3AR1 Q16581 2/20 0.47
▸ ACHE P22303 1/20 0.47
▸ GAA P10253 2/20 0.47
▸ ALDH1A1 P00352 2/20 0.44
▸ MEN1 O00255 3/20 0.44
▸ KMT2A Q03164 3/20 0.44
▸ CHRNB2 P17787 1/20 0.44
▸ CHRNA7 P36544 1/20 0.44
▸ CHRNA4 P43681 1/20 0.44
▸ POLB P06746 1/20 0.43
▸ TSHR P16473 1/20 0.42
▸ MCHR1 Q99705 1/20 0.42
▸ DRD4 P21917 1/20 0.42
▸ NPC1 O15118 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ PDK1 Q15118 3/20 0.42
▸ HSD17B10 Q99714 1/20 0.41
▸ MAPT P10636 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
SCHEMBL6216436 0.91 ACHE (0.47) ACHEALDH1A1MEN1KMT2APOLB
SCHEMBL6346829 0.86 SIGLEC9 (0.51) C3AR1ACHEGAAALDH1A1MEN1
SCHEMBL4835920 0.84 ACHE (0.55) ACHEALDH1A1MEN1KMT2APOLB
SCHEMBL6346334 0.83 ALDH1A1 (0.48) ACHEALDH1A1MEN1KMT2APOLB
SCHEMBL6215237 0.79 ACHE (0.54) ACHEGAAALDH1A1MEN1KMT2A
SCHEMBL6215988 0.79 ACHE (0.53) ACHEALDH1A1MEN1KMT2APOLB
SCHEMBL6347280 0.78 MAPT (0.48) ACHEALDH1A1MEN1KMT2APOLB
SCHEMBL6370380 0.77 ACHE (0.57) ACHEALDH1A1MEN1KMT2APOLB
SCHEMBL6346963 0.77 ACHE (0.52) ACHEMEN1KMT2APOLBTSHR
SCHEMBL6370819 0.76 ACHE (0.52) ACHEALDH1A1MEN1KMT2APOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1192132-B1 SERINE PROTEASE INHIBITORS LILLY CO ELI (US) 2005-09-07 — — EP 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
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-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 (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-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 C3AR1 195/4885ACHE 1271/4885GAA 689/4885

“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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