SCHEMBL6344302

SCHEMBL6344302

O=C(CN(C(=O)c1ccc2cc[nH]c2c1)c1ccccc1)N1CCC(Oc2cccnc2)CC1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.43
ALDH1A1 P00352 4/20 0.41
HTT P42858 1/20 0.41
GHSR Q92847 2/20 0.40
JAK1 P23458 1/20 0.40
SPR P35270 1/20 0.39
MAPT P10636 1/20 0.39
MAPK14 Q16539 1/20 0.38
KDM4E B2RXH2 1/20 0.38
POLB P06746 1/20 0.38
MAPK1 P28482 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CYP3A4 P08684 1/20 0.37
TTK P33981 1/20 0.37

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
SCHEMBL6344940 0.95 SPR (0.43) EPHX2ALDH1A1HTTGHSRJAK1
SCHEMBL6341778 0.91 EPHX2 (0.42) EPHX2ALDH1A1GHSRMAPTMAPK14
Hydrochloric Acid SCHEMBL6344658 0.90 EPHX2 (0.41) EPHX2ALDH1A1GHSRMAPTMAPK14
Trifluoroacetic Acid SCHEMBL6346762 0.86 EPHX2 (0.42) EPHX2GHSRMAPTMAPK14KDM4E
SCHEMBL6347278 0.86 SPR (0.42) EPHX2ALDH1A1HTTJAK1SPR
SCHEMBL6347242 0.85 KDM4E (0.43) EPHX2ALDH1A1GHSRMAPTMAPK14
SCHEMBL6354632 0.85 SIGLEC9 (0.44) EPHX2GHSRMAPK14KDM4EPOLB
SCHEMBL6346334 0.84 ALDH1A1 (0.48) EPHX2ALDH1A1HTTMAPTKDM4E
Hydrochloric Acid SCHEMBL6344766 0.83 PIK3CD (0.38) ALDH1A1GHSRMAPTMAPK14KDM4E
Hydrochloric Acid SCHEMBL6343764 0.83 MLNR (0.38) ALDH1A1GHSRMAPTMAPK14KDM4E

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-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-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 EPHX2 1259/4885ALDH1A1 3720/4885HTT 4210/4885
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 EPHX2 777/4885ALDH1A1 2527/4885HTT 2498/4885
US-20040242656-A1 Serine protease inhibitors SERPINE1, PRSS1, SERPINB1 EPHX2 1576/4885ALDH1A1 2261/4885HTT 4355/4885

“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.