SCHEMBL5868023

SCHEMBL5868023

O=C(CN(C(=O)c1ccc2cc[nH]c2c1)c1ccccc1)NCC1CCN(C2CCCC2)CC1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.48
ALDH1A1 P00352 4/20 0.48
MAPT P10636 3/20 0.48
HPGD P15428 3/20 0.48
HSD17B10 Q99714 3/20 0.48
F10 P00742 2/20 0.42
SMYD3 Q9H7B4 1/20 0.39
ALOX12 P18054 1/20 0.39
CHRM2 P08172 1/20 0.38
GHSR Q92847 2/20 0.38
MAPK14 Q16539 1/20 0.38
CCR3 P51677 2/20 0.37
ENPP2 Q13822 1/20 0.36
HTR4 Q13639 2/20 0.36
ACHE P22303 2/20 0.36
HSD11B1 P28845 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
CHRNA7 P36544 1/20 0.36

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
SCHEMBL5868145 0.99 ALDH1A1 (0.50) KDM4EALDH1A1MAPTHPGDHSD17B10
SCHEMBL5868190 0.92 KDM4E (0.47) KDM4EALDH1A1MAPTHPGDHSD17B10
SCHEMBL5868174 0.92 F10 (0.41) KDM4EALDH1A1MAPTHPGDHSD17B10
SCHEMBL5868197 0.88 KDM4E (0.46) KDM4EALDH1A1MAPTHPGDHSD17B10
SCHEMBL5868156 0.88 ACHE (0.49) KDM4EALDH1A1MAPTHPGDHSD17B10
SCHEMBL5868053 0.88 HSD17B10 (0.50) KDM4EALDH1A1MAPTHPGDHSD17B10
SCHEMBL5868270 0.86 ALDH1A1 (0.44) KDM4EALDH1A1MAPTHPGDHSD17B10
SCHEMBL5868330 0.86 ACHE (0.52) MAPK14HTR4ACHESIGMAR1
SCHEMBL5867876 0.86 F10 (0.41) KDM4EALDH1A1MAPTHPGDHSD17B10
SCHEMBL5868044 0.86 SLC6A4 (0.44) KDM4EALDH1A1MAPTHPGDHSD17B10

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 KDM4E 2936/4885ALDH1A1 3130/4885MAPT 4785/4885
US-20040259868-A1 Serine protease inhibitors SERPINE1, PRSS1, SERPINB1 KDM4E 3503/4885ALDH1A1 2261/4885MAPT 4835/4885
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 KDM4E 712/4885ALDH1A1 2527/4885MAPT 4609/4885

“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.