SCHEMBL543465

SCHEMBL543465

CCCCCCCc1ncco1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 2/20 0.42
CES1 P23141 1/20 0.42
KCNH2 Q12809 1/20 0.38
TLR7 Q9NYK1 2/20 0.37
PPARA Q07869 1/20 0.36
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
LIPG Q9Y5X9 1/20 0.35
HSD17B10 Q99714 2/20 0.35
ESR1 P03372 2/20 0.34
ADRA2A P08913 2/20 0.34
ADORA3 P0DMS8 2/20 0.34
TACR2 P21452 2/20 0.34
SLC6A2 P23975 2/20 0.34
SLC6A4 P31645 2/20 0.34
SLC6A3 Q01959 2/20 0.34
PTGS2 P35354 2/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34

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
SCHEMBL11510236 1.00 FAAH (0.42) FAAHCES1KCNH2TLR7PPARA
SCHEMBL15201267 1.00 FAAH (0.42) FAAHCES1KCNH2TLR7PPARA
SCHEMBL18649069 1.00 FAAH (0.42) FAAHCES1KCNH2TLR7PPARA
SCHEMBL10577731 1.00 FAAH (0.42) FAAHCES1KCNH2TLR7PPARA
SCHEMBL7431163 1.00 FAAH (0.42) FAAHCES1KCNH2TLR7PPARA
Bromide SCHEMBL29849486 0.98 FAAH (0.41) FAAHCES1KCNH2TLR7PPARA
SCHEMBL859772 0.98 FAAH (0.40) FAAHCES1KCNH2TLR7PPARA
Fluoride SCHEMBL28689077 0.96 FAAH (0.39) FAAHCES1KCNH2TLR7PPARA
SCHEMBL4595010 0.92
SCHEMBL13662366 0.90 FAAH (0.56) FAAHCES1

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 29 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1791598-A benzimidazole derivatives as factor Xa inhibitors SANOFI AVENTIS DEUTSCHLAND (DE) 2006-06-21 CN claimed
CN-1791601-A azaindole derivatives as factor Xa inhibitors SANOFI AVENTIS DEUTSCHLAND (DE) 2006-06-21 CN claimed
US-9999619-B2 Piperidin-4-yl azetidine derivatives as JAK1 inhibitors INCYTE HOLDINGS CORPORATION (US) 2018-06-19 US disclosed
US-20170246157-A1 PIPERIDIN-4-YL AZETIDINE DERIVATIVES AS JAK1 INHIBITORS INCYTE CORPORATION 2017-08-31 US disclosed
EP-2414367-B1 PROSTAGLANDIN E RECEPTOR ANTAGONISTS ALLERGAN INC (US) 2014-08-13 EP disclosed
EP-2414367-A1 PROSTAGLANDIN E RECEPTOR ANTAGONISTS Allergan, Inc. (US) 2012-02-08 EP disclosed
WO-2010114997-A1 PROSTAGLANDIN E RECEPTOR ANTAGONISTS ALLERGAN, INC. (US) 2010-10-07 WO disclosed
CN-100484935-C benzimidazole derivatives as factor Xa inhibitors SANOFI AVENTIS DEUTSCHLAND (DE) 2009-05-06 CN disclosed
CN-1791601-A azaindole derivatives as factor Xa inhibitors SANOFI AVENTIS DEUTSCHLAND (DE) 2006-06-21 CN disclosed
CN-1791598-A benzimidazole derivatives as factor Xa inhibitors SANOFI AVENTIS DEUTSCHLAND (DE) 2006-06-21 CN disclosed
US-7045634-B2 Prostamide receptor antagonists ALLERGAN, INC. (US) 2006-05-16 US disclosed
US-20020165399-A1 Interphenylene 7-oxabicyclic [2.2.1] heptane oxazoles as prostaglandin F2a antagonists ALLERGAN SALES, INC. 2002-11-07 US disclosed
US-20020165399-A1 Interphenylene 7-oxabicyclic [2.2.1] heptane oxazoles as prostaglandin F2a antagonists ALLERGAN SALES, INC. 2002-11-07 US disclosed
US-20020128233-A1 Interheteroaryl 7-oxabicyclic [2.2.1]heptane oxazoles as prostaglandin F2alpha antagonists ALLERGAN, INC. 2002-09-12 US disclosed
US-6407250-B1 ANTIINFLAMMATORY AGENTS; SKIN DISORDERS; OSTEOPOROSIS ALLERGAN SALES, INC. 2002-06-18 US disclosed
US-6407250-B1 ANTIINFLAMMATORY AGENTS; SKIN DISORDERS; OSTEOPOROSIS ALLERGAN SALES, INC. 2002-06-18 US disclosed
WO-2002022621-A2 INTERPHENYLENE 7-OXABICYCLIC[2.2.1]HEPTANE OXAZOLES AS PROSTAGLANDIN F2a ANTAGONISTS ALLERGAN INC. (US) 2002-03-21 WO disclosed
WO-2002022620-A2 INTERHETEROARYL 7-OXABICYCLIC [2.2.1]HEPTANE OXAZOLES AS PROSTAGLANDIN F2$G(A) ANTAGONISTS ALLERGAN, INC. (US) 2002-03-21 WO disclosed
EP-0507790-A1 PROCESS FOR PREPARING CROSSLINKED POLYMERS Henkel Kommanditgesellschaft auf Aktien (DE) 1992-10-14 EP disclosed
WO-1991009897-A2 PROCESS FOR PREPARING CROSSLINKED POLYMERS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 1991-07-11 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-20020165399-A1 Interphenylene 7-oxabicyclic [2.2.1] heptane oxazoles as prostaglandin F2a antagonists PTGIR, PTGER1, TBXA2R FAAH 620/4885CES1 2273/4885KCNH2 3351/4885
US-20020128233-A1 Interheteroaryl 7-oxabicyclic [2.2.1]heptane oxazoles as prostaglandin F2alpha antagonists PTGER1, PTGIR, PTGDR FAAH 687/4885CES1 2617/4885KCNH2 3152/4885
US-20170246157-A1 PIPERIDIN-4-YL AZETIDINE DERIVATIVES AS JAK1 INHIBITORS JAK1, JAK2, JAK3 FAAH 3480/4885CES1 2884/4885KCNH2 2308/4885

“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.