SCHEMBL5868044

SCHEMBL5868044

O=C(CN(C(=O)c1ccc2cc[nH]c2c1)c1ccccc1)NCC1CCNCC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 5/20 0.44
SLC6A2 P23975 3/20 0.44
SLC6A3 Q01959 2/20 0.44
SMYD3 Q9H7B4 1/20 0.42
CHEK2 O96017 2/20 0.42
MET P08581 2/20 0.42
KDM1A O60341 1/20 0.41
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 2/20 0.40
HPGD P15428 1/20 0.40
ENPP2 Q13822 1/20 0.40
HSD17B10 Q99714 1/20 0.40
KCNH2 Q12809 1/20 0.39
TAS1R3 Q7RTX0 1/20 0.37
TAS1R1 Q7RTX1 1/20 0.37
GHSR Q92847 1/20 0.37
HDAC1 Q13547 2/20 0.37
HDAC2 Q92769 2/20 0.37
BRD4 O60885 1/20 0.37
MAPK14 Q16539 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
SCHEMBL5867874 0.86 SMYD3 (0.53) SLC6A4SLC6A2SLC6A3SMYD3CHEK2
SCHEMBL5867876 0.86 F10 (0.41) SMYD3KDM4EALDH1A1HPGDENPP2
SCHEMBL5868330 0.86 ACHE (0.52) HDAC1HDAC2MAPK14HDAC3HDAC4
SCHEMBL5868023 0.86 KDM4E (0.48) SMYD3KDM4EALDH1A1HPGDENPP2
SCHEMBL5868145 0.85 ALDH1A1 (0.50) SMYD3KDM4EALDH1A1HPGDHSD17B10
SCHEMBL5868174 0.84 F10 (0.41) SMYD3KDM4EALDH1A1HPGDHSD17B10
SCHEMBL5868156 0.84 ACHE (0.49) SMYD3KDM4EALDH1A1HPGDHSD17B10
SCHEMBL5868098 0.84 F10 (0.40) SMYD3KDM4EALDH1A1HPGDHSD17B10
SCHEMBL5868205 0.82 KDM4E (0.53) CHEK2KDM4E
Trifluoroacetic Acid SCHEMBL5867994 0.80 KDM4E (0.40) KDM4EALDH1A1MAPT

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-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-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 SLC6A4 4231/4885SLC6A2 3545/4885SLC6A3 4342/4885
US-20040259868-A1 Serine protease inhibitors SERPINE1, PRSS1, SERPINB1 SLC6A4 4193/4885SLC6A2 3687/4885SLC6A3 4278/4885
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 SLC6A4 4152/4885SLC6A2 4592/4885SLC6A3 4827/4885

“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.