SCHEMBL6214067

SCHEMBL6214067

COc1ccc(C(=O)N[C@@H](CNC(=O)c2ccc(C)cc2)c2ccccc2)cc1

nearest known ligand 0.64

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
UTS2R Q9UKP6 4/20 0.57
ALDH1A1 P00352 5/20 0.54
CYP3A4 P08684 2/20 0.54
NPC1 O15118 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
GAA P10253 1/20 0.53
TP53 P04637 1/20 0.53
SLC6A9 P48067 1/20 0.52
SLC6A5 Q9Y345 1/20 0.52
CYP1A2 P05177 1/20 0.51
MAPT P10636 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
CYP24A1 Q07973 1/20 0.50
TAS1R3 Q7RTX0 2/20 0.49
TAS1R1 Q7RTX1 2/20 0.49

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
SCHEMBL6214070 1.00 UTS2R (0.57) UTS2RALDH1A1CYP3A4NPC1NPSR1
SCHEMBL6213961 0.89 ALDH1A1 (0.60) UTS2RALDH1A1CYP3A4NPC1GAA
SCHEMBL6215659 0.89 ALDH1A1 (0.60) UTS2RALDH1A1CYP3A4NPC1GAA
SCHEMBL6369720 0.88 RAB9A (0.57) ALDH1A1CYP3A4NPC1GAASLC6A9
SCHEMBL6218271 0.88 TAOK1 (0.55) ALDH1A1CYP3A4NPC1GAASLC6A9
SCHEMBL6369727 0.88 RAB9A (0.57) ALDH1A1CYP3A4NPC1GAASLC6A9
SCHEMBL6218266 0.88 TAOK1 (0.55) ALDH1A1CYP3A4NPC1GAASLC6A9
SCHEMBL6215488 0.82 KDM4E (0.55) UTS2RALDH1A1CYP3A4GAASLC6A9
SCHEMBL7822242 0.81 UTS2R (0.64) UTS2RALDH1A1NPC1NPSR1TAS1R3
SCHEMBL5867892 0.81 ROCK1 (0.62) UTS2RALDH1A1CYP3A4NPC1GAA

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1192132-B1 SERINE PROTEASE INHIBITORS LILLY CO ELI (US) 2005-09-07 EP 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
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-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 (1 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-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 UTS2R 1223/4885ALDH1A1 2527/4885CYP3A4 666/4885

“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.