SCHEMBL10089398

SCHEMBL10089398

O=C(NC1CCCCC1)Oc1ccc2cccc(Br)c2c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
FAAH O00519 2/20 0.70
EPHX1 P07099 1/20 0.70
ALDH1A1 P00352 1/20 0.56
RAB9A P51151 1/20 0.56

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
SCHEMBL1690685 0.83 FAAH (1.00) FAAHEPHX1ALDH1A1RAB9A
SCHEMBL17175648 0.77 FAAH (0.61) FAAHEPHX1ALDH1A1RAB9A
SCHEMBL31323063 0.76 FAAH (0.86) FAAHEPHX1ALDH1A1RAB9A
SCHEMBL5517974 0.76 FAAH (0.70) FAAHEPHX1ALDH1A1RAB9A
SCHEMBL4962238 0.76 FAAH (0.70) FAAHEPHX1ALDH1A1RAB9A
SCHEMBL17165968 0.76 FAAH (0.59) FAAHEPHX1ALDH1A1RAB9A
SCHEMBL27620243 0.74 EPHX1 (0.67) FAAHEPHX1ALDH1A1RAB9A
SCHEMBL830513 0.73 EPHX1 (0.66) FAAHEPHX1ALDH1A1RAB9A
SCHEMBL4962789 0.73 FAAH (0.70) FAAHEPHX1ALDH1A1RAB9A
SCHEMBL4183181 0.73 FAAH (0.71) FAAHEPHX1ALDH1A1RAB9A

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
US-20120010283-A1 MODULATION OF ANXIETY THROUGH BLOCKADE OF ANANDAMIDE HYDROLYSIS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2012-01-12 US disclosed
US-8003693-B2 Modulation of anxiety through blockade of anandamide hydrolysis THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2011-08-23 US disclosed
US-8003693-B2 Modulation of anxiety through blockade of anandamide hydrolysis THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2011-08-23 US disclosed
US-20090048337-A1 Modulation of anxiety through blockade of anandamide hydrolysis THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2009-02-19 US disclosed
US-20090048337-A1 Modulation of anxiety through blockade of anandamide hydrolysis THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2009-02-19 US disclosed
US-7176201-B2 Modulation of anxiety through blockade of anandamide hydrolysis THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2007-02-13 US disclosed
US-7176201-B2 Modulation of anxiety through blockade of anandamide hydrolysis THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2007-02-13 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 (2 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-20090048337-A1 Modulation of anxiety through blockade of anandamide hydrolysis FAAH, FAAH2, CNR2 FAAH 1/4885EPHX1 27/4885ALDH1A1 681/4885
US-20120010283-A1 MODULATION OF ANXIETY THROUGH BLOCKADE OF ANANDAMIDE HYDROLYSIS FAAH, FAAH2, CNR2 FAAH 1/4885EPHX1 30/4885ALDH1A1 734/4885

“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.