SCHEMBL380802

SCHEMBL380802

NC(=O)c1ccn(-c2cccc(OC(=O)NC3CCCCC3)c2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FAAH O00519 6/20 0.69
TRPA1 O75762 1/20 0.64
EPHX2 P34913 1/20 0.64
FAAH2 Q6GMR7 1/20 0.64
MGLL Q99685 1/20 0.64
HDAC6 Q9UBN7 1/20 0.64
DRD2 P14416 1/20 0.55
DRD3 P35462 1/20 0.55
KCNH2 Q12809 1/20 0.55

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
SCHEMBL4750537 0.82 FAAH (0.86) FAAHTRPA1EPHX2FAAH2MGLL
SCHEMBL381113 0.78 FAAH (0.57) FAAHDRD2DRD3KCNH2
Urb-597 SCHEMBL93842 0.78 FAAH (1.00) FAAHTRPA1EPHX2FAAH2MGLL
Urb-597 SCHEMBL29371698 0.78 FAAH (1.00) FAAHTRPA1EPHX2FAAH2MGLL
SCHEMBL10089400 0.77 FAAH (0.84) FAAHTRPA1EPHX2FAAH2MGLL
SCHEMBL14187855 0.77 FAAH (0.98) FAAHTRPA1EPHX2FAAH2MGLL
SCHEMBL17175654 0.75 FAAH (0.93) FAAHTRPA1EPHX2FAAH2MGLL
SCHEMBL12803599 0.74 FAAH (0.73) FAAHDRD2DRD3KCNH2
SCHEMBL4183181 0.74 FAAH (0.71) FAAHTRPA1EPHX2FAAH2MGLL
SCHEMBL14044821 0.74 FAAH (0.67) FAAHTRPA1EPHX2FAAH2MGLL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120252865-A1 CARBAMATE DERIVATIVES IN PARTICULAR FOR THE TREATMENT OF NEUROLOGICAL DISORDERS SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 2012-10-04 US claimed
EP-2408743-A1 CARBAMATE DERIVATIVES IN PARTICULAR FOR THE TREATMENT OF NEUROLOGICAL DISORDERS SIGMA-TAU Industrie Farmaceutiche Riunite S.p.A. (IT) 2012-01-25 EP claimed
WO-2010105930-A1 CARBAMATE DERIVATIVES IN PARTICULAR FOR THE TREATMENT OF NEUROLOGICAL DISORDERS SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 2010-09-23 WO claimed

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-20120252865-A1 CARBAMATE DERIVATIVES IN PARTICULAR FOR THE TREATMENT OF NEUROLOGICAL DISORDERS ACHE, CHRNA10, CHRNA5 FAAH 151/4885TRPA1 182/4885EPHX2 1541/4885

“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.