SCHEMBL1667887

SCHEMBL1667887

CCCCCCCC/C=C\CCCCCCCC(=O)c1nc2ccccc2s1

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FAAH O00519 6/20 0.58
DAGLA Q9Y4D2 1/20 0.58
CES1 P23141 1/20 0.58
HTR1A P08908 5/20 0.55
DRD2 P14416 4/20 0.55
HTR7 P34969 4/20 0.55
SLC6A4 P31645 3/20 0.55
HTR2A P28223 3/20 0.51
HTR2C P28335 2/20 0.51
NPC1 O15118 1/20 0.50
HPGD P15428 1/20 0.50
RAB9A P51151 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
SLC6A2 P23975 1/20 0.49
HRH1 P35367 1/20 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
SCHEMBL1667888 1.00 FAAH (0.58) FAAHDAGLACES1HTR1ADRD2
SCHEMBL30093447 0.92 DRD2 (0.62) HTR1ADRD2HTR7SLC6A4HTR2A
SCHEMBL1668218 0.92 DRD2 (0.62) HTR1ADRD2HTR7SLC6A4HTR2A
SCHEMBL3752137 0.92 DRD2 (0.62) HTR1ADRD2HTR7SLC6A4HTR2A
SCHEMBL28919882 0.92 DRD2 (0.62) HTR1ADRD2HTR7SLC6A4HTR2A
SCHEMBL28919881 0.91 DRD2 (0.63) HTR1ADRD2HTR7SLC6A4HTR2A
Bromide SCHEMBL28956727 0.90 DRD2 (0.62) HTR1ADRD2HTR7SLC6A4HTR2A
SCHEMBL19043117 0.87 DRD2 (0.61) HTR1ADRD2HTR7SLC6A4HTR2A
SCHEMBL8922993 0.83 FAAH (0.50) FAAHDAGLACES1NPC1HPGD
SCHEMBL12548965 0.81 NPC1 (0.63) HTR1ADRD2HTR7SLC6A4HTR2A

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-10370344-B2 2-oxothiazole compounds and method of using same for chronic inflammatory disorders AVEXXIN AS (NO) 2019-08-06 US disclosed
EP-3431084-A1 ANTIINFLAMMATORY 2-OXOTHIAZOLES Avexxin AS (NO) 2019-01-23 EP disclosed
US-20170166539-A1 COMPOUND AVEXXIN AS (NO) 2017-06-15 US disclosed
US-9597318-B2 2-oxothiazole compounds and method of using same for chronic inflammatory disorders AVEXXIN AS (NO) 2017-03-21 US disclosed
EP-2482815-A1 ANTI INFLAMMATORY 2-OXOTHIAZOLES AND 2 -OXOOXAZOLES Avexxin AS (NO) 2012-08-08 EP disclosed
US-20110136879-A1 COMPOUND AVEXXIN AS (NO) 2011-06-09 US disclosed
WO-2011039365-A1 ANTI INFLAMMATORY 2-OXOTHIAZOLES AND 2 -OXOOXAZOLES AVEXXIN AS (NO) 2011-04-07 WO disclosed
US-20090270421-A1 INHIBITORS OF FATTY ACID AMIDE HYDROLASE THE SCRIPPS RESEARCH INSTITUTE (US) 2009-10-29 US disclosed
US-7560570-B2 Inhibitors of fatty acid amide hydrolase THE SCRIPPS RESEARCH INSTITUTE (US) 2009-07-14 US disclosed
US-20050239785-A1 Inhibitors of fatty acid amide hydrolase THE SCRIPPS RESEARCH INSTITUTE (US) 2005-10-27 US disclosed
US-6891043-B2 Inhibitors of fatty acid amide hydrolase THE SCRIPPS RESEARCH INSTITUTE (US) 2005-05-10 US disclosed
US-20030092734-A1 Inhibitors of fatty acid amide hydrolase THE SCRIPPS RESEARCH INSTITUTE 2003-05-15 US disclosed
US-6462054-B1 ALPHA KETO HETEROCYCLIC PHARMACOPHORE; COMPLEMENTARY BINDING BY ELECTROPHILIC CARBONYL AND WEAKLY BASIC NITROGEN OF SUCH AS OXAZOLOPYRIDINE GROUP; SLEEP AIDS OR ANALGESICS; PRESERVING ENDOGENOUS LEVELS OF OLEAMIDE AND ANANDAMIDE THE SCRIPPS RESEARCH INSTITUTE 2002-10-08 US 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 (6 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-20110136879-A1 COMPOUND CBR1, CBR3, CCR1 FAAH 406/4885DAGLA 4112/4885CES1 59/4885
US-20170166539-A1 COMPOUND CBR1, CBR3, CCR1 FAAH 407/4885DAGLA 4120/4885CES1 61/4885
US-20090270421-A1 INHIBITORS OF FATTY ACID AMIDE HYDROLASE FAAH, FAAH2, CNR2 FAAH 1/4885DAGLA 131/4885CES1 23/4885
US-20030092734-A1 Inhibitors of fatty acid amide hydrolase FAAH, FAAH2, CNR2 FAAH 1/4885DAGLA 202/4885CES1 9/4885
US-10370344-B2 2-oxothiazole compounds and method of using same for chronic inflammatory disorders CX3CR1, LTC4S, CBR1 FAAH 405/4885DAGLA 4551/4885CES1 155/4885
US-20050239785-A1 Inhibitors of fatty acid amide hydrolase FAAH, FAAH2, CNR2 FAAH 1/4885DAGLA 131/4885CES1 23/4885

“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.