SCHEMBL6218271

SCHEMBL6218271

CCc1ccc(C(=O)NCC(NC(=O)c2ccc(OC)cc2)c2ccccc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TAOK1 Q7L7X3 2/20 0.55
TAOK3 Q9H2K8 2/20 0.55
NPC1 O15118 2/20 0.53
RAB9A P51151 2/20 0.53
ALDH1A1 P00352 4/20 0.52
CYP3A4 P08684 1/20 0.52
GAA P10253 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.50
SLC6A9 P48067 1/20 0.50
SLC6A5 Q9Y345 1/20 0.50
ROCK2 O75116 1/20 0.48
CTSL P07711 1/20 0.48
CTSS P25774 1/20 0.48
PPARG P37231 1/20 0.48
TAS1R3 Q7RTX0 2/20 0.48
TAS1R1 Q7RTX1 2/20 0.48

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
SCHEMBL6218266 1.00 TAOK1 (0.55) TAOK1TAOK3NPC1RAB9AALDH1A1
SCHEMBL6214070 0.88 UTS2R (0.57) NPC1ALDH1A1CYP3A4GAASLC6A9
SCHEMBL6214067 0.88 UTS2R (0.57) NPC1ALDH1A1CYP3A4GAASLC6A9
SCHEMBL6215659 0.87 ALDH1A1 (0.60) NPC1RAB9AALDH1A1CYP3A4GAA
SCHEMBL6213961 0.87 ALDH1A1 (0.60) NPC1RAB9AALDH1A1CYP3A4GAA
SCHEMBL6369720 0.86 RAB9A (0.57) NPC1RAB9AALDH1A1CYP3A4GAA
SCHEMBL6369727 0.86 RAB9A (0.57) NPC1RAB9AALDH1A1CYP3A4GAA
SCHEMBL6215488 0.81 KDM4E (0.55) ALDH1A1CYP3A4GAASMN1; SMN2SLC6A9
SCHEMBL5867892 0.79 ROCK1 (0.62) NPC1RAB9AALDH1A1CYP3A4GAA
SCHEMBL5867888 0.79 ROCK1 (0.62) NPC1RAB9AALDH1A1CYP3A4GAA

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 TAOK1 2511/4885TAOK3 3815/4885NPC1 3307/4885

“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.