SCHEMBL3962735

SCHEMBL3962735

CCCCCCCC/C=C\CCCCCCCC(=O)c1nc2ccccc2[nH]1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DAGLA Q9Y4D2 2/20 1.00
FAAH O00519 8/20 0.58
CES1 P23141 3/20 0.58
SPHK2 Q9NRA0 1/20 0.55
SPHK1 Q9NYA1 1/20 0.55
NPC1 O15118 1/20 0.53
ALDH1A1 P00352 1/20 0.53
RAB9A P51151 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53

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
SCHEMBL27573148 0.87 DAGLA (0.76) DAGLASPHK2SPHK1NPC1ALDH1A1
SCHEMBL28018575 0.78 DAGLA (0.64) DAGLASPHK2SPHK1NPC1ALDH1A1
SCHEMBL9518561 0.77 DAGLA (0.64) DAGLASPHK2SPHK1NPC1ALDH1A1
SCHEMBL669247 0.77 DAGLA (0.62) DAGLASPHK2SPHK1NPC1ALDH1A1
SCHEMBL1028857 0.76 DAGLA (0.61) DAGLASPHK2SPHK1NPC1ALDH1A1
SCHEMBL19025151 0.76 POLB (0.67) DAGLASPHK2SPHK1NPC1ALDH1A1
SCHEMBL19025150 0.76 POLB (0.67) DAGLASPHK2SPHK1NPC1ALDH1A1
SCHEMBL30831206 0.75 SMN1; SMN2 (0.61) DAGLANPC1RAB9ASMN1; SMN2
SCHEMBL1901781 0.75 SMN1; SMN2 (0.61) DAGLANPC1RAB9ASMN1; SMN2
SCHEMBL10462915 0.74 DAGLA (0.63) DAGLAFAAHNPC1RAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (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-20090270421-A1 INHIBITORS OF FATTY ACID AMIDE HYDROLASE FAAH, FAAH2, CNR2 DAGLA 131/4885FAAH 1/4885CES1 23/4885
US-20030092734-A1 Inhibitors of fatty acid amide hydrolase FAAH, FAAH2, CNR2 DAGLA 202/4885FAAH 1/4885CES1 9/4885
US-20050239785-A1 Inhibitors of fatty acid amide hydrolase FAAH, FAAH2, CNR2 DAGLA 131/4885FAAH 1/4885CES1 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.