SCHEMBL5868053

SCHEMBL5868053

O=C(CN(C(=O)c1ccc2cc[nH]c2c1)c1ccccc1)NC1CCN(C2CCCC2)CC1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 3/20 0.50
KDM4E B2RXH2 3/20 0.50
ALDH1A1 P00352 3/20 0.50
MAPT P10636 3/20 0.50
HPGD P15428 2/20 0.50
SMYD3 Q9H7B4 2/20 0.48
HDAC1 Q13547 3/20 0.45
HDAC6 Q9UBN7 3/20 0.45
ACKR3 P25106 3/20 0.44
F10 P00742 2/20 0.42
ALOX12 P18054 1/20 0.40
GHSR Q92847 2/20 0.39
CHRNA7 P36544 1/20 0.39
MAPK14 Q16539 1/20 0.39
NPSR1 Q6W5P4 1/20 0.38

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
SCHEMBL5868023 0.88 KDM4E (0.48) HSD17B10KDM4EALDH1A1MAPTHPGD
SCHEMBL5868145 0.87 ALDH1A1 (0.50) HSD17B10KDM4EALDH1A1MAPTHPGD
SCHEMBL5867920 0.87 ACHE (0.47) HSD17B10KDM4EALDH1A1MAPTHPGD
SCHEMBL5868190 0.86 KDM4E (0.47) HSD17B10KDM4EALDH1A1MAPTHPGD
SCHEMBL5868257 0.86 SMYD3 (0.48) KDM4EALDH1A1MAPTSMYD3HDAC1
SCHEMBL5867874 0.85 SMYD3 (0.53) HSD17B10KDM4EALDH1A1MAPTHPGD
SCHEMBL5868093 0.82 SMYD3 (0.45) KDM4EMAPTSMYD3NPSR1
Hydrochloric Acid SCHEMBL5868428 0.81 KDM4E (0.46) HSD17B10KDM4EALDH1A1MAPTHPGD
SCHEMBL5868046 0.80 HSD17B10 (0.59) HSD17B10ALDH1A1MAPTHDAC1HDAC6
SCHEMBL5868174 0.79 F10 (0.41) HSD17B10KDM4EALDH1A1MAPTHPGD

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 HSD17B10 1682/4885KDM4E 2936/4885ALDH1A1 3130/4885
US-20040259868-A1 Serine protease inhibitors SERPINE1, PRSS1, SERPINB1 HSD17B10 1208/4885KDM4E 3503/4885ALDH1A1 2261/4885
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 HSD17B10 3287/4885KDM4E 712/4885ALDH1A1 2527/4885

“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.