SCHEMBL5867906

SCHEMBL5867906

COc1ccc(C(=O)N(CC(=O)NC2CCN(C(=O)OC(C)(C)C)CC2)c2ccccc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.54
GPR119 Q8TDV5 3/20 0.54
HSD17B10 Q99714 1/20 0.52
ACHE P22303 1/20 0.49
KMT2A Q03164 4/20 0.46
MEN1 O00255 3/20 0.46
SLC2A1 P11166 1/20 0.46
STS P08842 1/20 0.46
KDM4E B2RXH2 1/20 0.46
PKM P14618 1/20 0.46
USP30 Q70CQ3 1/20 0.45
SIGMAR1 Q99720 1/20 0.45
LIMK2 P53671 1/20 0.45
PTPRB P23467 1/20 0.45
PTPN11 Q06124 1/20 0.45

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
SCHEMBL5868024 0.88 KDM4E (0.58) ALDH1A1GPR119ACHEKMT2AMEN1
SCHEMBL6987491 0.85 PTPRB (0.45) ALDH1A1GPR119KMT2AMEN1KDM4E
SCHEMBL4842090 0.84 GPR119 (0.53) ALDH1A1GPR119ACHEKMT2AMEN1
SCHEMBL5868093 0.83 SMYD3 (0.45) KMT2AMEN1STSKDM4EPKM
SCHEMBL5868273 0.83 HSD17B10 (0.53) ALDH1A1HSD17B10ACHEKDM4ESIGMAR1
SCHEMBL5868046 0.82 HSD17B10 (0.59) ALDH1A1HSD17B10ACHESIGMAR1
SCHEMBL5868095 0.81 HSD17B10 (0.60) ALDH1A1HSD17B10ACHESIGMAR1
SCHEMBL4837336 0.81 ACHE (0.52) ALDH1A1GPR119ACHEKMT2AMEN1
SCHEMBL5868195 0.81 HSD17B10 (0.54) ALDH1A1HSD17B10ACHEKDM4ESIGMAR1
SCHEMBL5868120 0.80 KMT2A (0.52) ALDH1A1GPR119KMT2AMEN1STS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7053078-B2 Serine protease inhibitors ELI LILLY AND COMPANY (US) 2006-05-30 US disclosed
EP-1289954-B1 SERINE PROTEASE INHIBITORS LILLY CO ELI (US) 2005-09-14 EP disclosed
US-6900196-B2 Serine protease inhibitors ELI LILLY AND COMPANY (US) 2005-05-31 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-20040259868-A1 Serine protease inhibitors LIEBESCHUETZ JOHN WALTER (GB) 2004-12-23 US disclosed
US-20030109706-A1 Serine pretease inhibitors ELI LILLY AND COMPANY 2003-06-12 US disclosed
EP-1289954-A1 SERINE PROTEASE INHIBITORS ELI LILLY AND COMPANY (US) 2003-03-12 EP disclosed
EP-1192132-A2 SERINE PROTEASE INHIBITORS ELI LILLY AND COMPANY (US) 2002-04-03 EP disclosed
EP-1192135-A2 SERINE PROTEASE INHIBITORS ELI LILLY AND COMPANY (US) 2002-04-03 EP disclosed
WO-2001096303-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-20030109706-A1 Serine pretease inhibitors PRSS1, SERPINE1, HPN ALDH1A1 3130/4885GPR119 2788/4885HSD17B10 1682/4885
US-20040259868-A1 Serine protease inhibitors SERPINE1, PRSS1, SERPINB1 ALDH1A1 2261/4885GPR119 2989/4885HSD17B10 1208/4885
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 ALDH1A1 2527/4885GPR119 3347/4885HSD17B10 3287/4885

“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.