SCHEMBL6356499

SCHEMBL6356499

O=C(CN(C(=O)c1ccc2c(Cl)c[nH]c2c1)c1ccccc1)N1CC[C@@H](Oc2cccnc2)C1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SPR P35270 1/20 0.46
F10 P00742 4/20 0.39
EPHX2 P34913 1/20 0.39
NAMPT P43490 2/20 0.36
ALDH1A1 P00352 3/20 0.36
HTT P42858 1/20 0.36
GRIN1 Q05586 1/20 0.34
GRIN2B Q13224 1/20 0.34
CYP3A4 P08684 1/20 0.34

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
SCHEMBL6347278 0.95 SPR (0.42) SPRF10EPHX2ALDH1A1HTT
SCHEMBL6343484 0.91 SPR (0.41) SPRF10EPHX2NAMPTALDH1A1
SCHEMBL6354869 0.87 EPHX2 (0.41) F10EPHX2CYP3A4
SCHEMBL6344940 0.86 SPR (0.43) SPRF10EPHX2NAMPTALDH1A1
SCHEMBL6352461 0.83 JUN (0.42) F10EPHX2CYP3A4
SCHEMBL6344306 0.82 EPHX2 (0.40) F10EPHX2CYP3A4
SCHEMBL6344302 0.81 EPHX2 (0.43) SPREPHX2ALDH1A1HTTCYP3A4
SCHEMBL6421903 0.79 F10 (0.46) F10
SCHEMBL6343706 0.77 EPHX2 (0.40) F10EPHX2ALDH1A1HTTCYP3A4
SCHEMBL6346334 0.77 ALDH1A1 (0.48) EPHX2ALDH1A1HTT

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 SPR 98/4885F10 69/4885EPHX2 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 SPR 628/4885F10 219/4885EPHX2 777/4885
US-20040242656-A1 Serine protease inhibitors SERPINE1, PRSS1, SERPINB1 SPR 149/4885F10 60/4885EPHX2 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.