SCHEMBL518339

SCHEMBL518339

CCCCCC[C@@H](O)C/C=C\CCCCCCCC(=O)NC(=O)CCCCCCC/C=C\C[C@H](O)CCCCCC

nearest known ligand 0.76

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FAAH O00519 4/20 0.76
FFAR1 O14842 1/20 0.74
FFAR4 Q5NUL3 1/20 0.74
NFKB1 P19838 1/20 0.56
NFKB2 Q00653 1/20 0.56
RELA Q04206 1/20 0.56
TRPV1 Q8NER1 1/20 0.55
DEGS1 O15121 1/20 0.53
SLC6A5 Q9Y345 1/20 0.51
ASAH2 Q9NR71 1/20 0.50
HRH3 Q9Y5N1 1/20 0.50
CETP P11597 2/20 0.49
EPHX2 P34913 1/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 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
SCHEMBL1999123 0.93 FAAH (0.65) FAAHFFAR1FFAR4DEGS1SLC6A5
SCHEMBL20580096 0.93 FAAH (0.65) FAAHFFAR1FFAR4DEGS1SLC6A5
SCHEMBL9216934 0.91 FAAH (0.68) FAAHFFAR1FFAR4NFKB1NFKB2
SCHEMBL20391786 0.90 FAAH (0.74) FAAHFFAR1FFAR4NFKB1NFKB2
SCHEMBL395759 0.89 FAAH (0.81) FAAHFFAR1FFAR4TRPV1SLC6A5
SCHEMBL15006956 0.89 FAAH (0.81) FAAHFFAR1FFAR4TRPV1SLC6A5
SCHEMBL11778109 0.89 FAAH (0.81) FAAHFFAR1FFAR4NFKB1NFKB2
SCHEMBL5516943 0.89 FAAH (0.73) FAAHFFAR1FFAR4NFKB1NFKB2
SCHEMBL20389955 0.88 FAAH (0.80) FAAHFFAR1FFAR4NFKB1NFKB2
SCHEMBL7069032 0.88 FAAH (0.79) FAAHFFAR1FFAR4NFKB1NFKB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9226925-B1 Abuse deterrent and anti-dose dumping pharmaceutical salts useful for the treatment of attention deficit/hyperactivity disorder PISGAH LABORATORIES, INC. (US) 2016-01-05 US claimed
US-8940729-B1 Abuse deterrent and anti-dose dumping pharmaceutical salts useful for the treatment of attention deficit/hyperactivity disorder PISGAH LABORATORIES, INC. (US) 2015-01-27 US claimed
US-8912217-B1 Abuse deterrent and anti-dose dumping pharmaceutical salts useful for the treatment of attention deficit/hyperactivity disorder PISGAH LABORATORIES, INC. (US) 2014-12-16 US claimed
US-9226925-B1 Abuse deterrent and anti-dose dumping pharmaceutical salts useful for the treatment of attention deficit/hyperactivity disorder PISGAH LABORATORIES, INC. (US) 2016-01-05 US disclosed
US-8980880-B1 Abuse deterrent and anti-dose dumping pharmaceutical salts useful for the treatment of attention deficit/hyperactivity disorder PISGAH LABORATORIES, INC. (US) 2015-03-17 US disclosed
US-8957067-B1 Abuse deterrent and anti-dose dumping pharmaceutical salts useful for the treatment of attention deficit/hyperactivity disorder PISGAH LABORATORIES, INC. (US) 2015-02-17 US disclosed
US-8940729-B1 Abuse deterrent and anti-dose dumping pharmaceutical salts useful for the treatment of attention deficit/hyperactivity disorder PISGAH LABORATORIES, INC. (US) 2015-01-27 US disclosed
US-8916587-B1 Abuse deterrent and anti-dose dumping pharmaceutical salts useful for the treatment of attention deficit/hyperactivity disorder PISGAH LABORATORIES, INC. (US) 2014-12-23 US disclosed
US-8912217-B1 Abuse deterrent and anti-dose dumping pharmaceutical salts useful for the treatment of attention deficit/hyperactivity disorder PISGAH LABORATORIES, INC. (US) 2014-12-16 US disclosed
US-8846766-B2 Abuse-deterrent methadone for the safe treatment of drug abuse and pain relief PISGAH LABORATORIES, INC. (US) 2014-09-30 US disclosed
US-8716278-B1 Abuse deterrent and anti-dose dumping pharmaceutical salts useful for the treatment of attention deficit/hyperactivity disorder PISGAH LABORATORIES, INC. (US) 2014-05-06 US disclosed
US-8716337-B1 Abuse deterrent and anti-dose dumping pharmaceutical salts useful for the treatment of attention deficit/hyperactivity disorder PISGAH LABORATORIES, INC. (US) 2014-05-06 US disclosed
US-8653106-B2 Abuse deterrent and anti-dose dumping pharmaceutical salts useful for the treatment of attention deficit/hyperactivity disorder PISGAH LABORATORIES, INC. (US) 2014-02-18 US disclosed
US-8653065-B1 Abuse deterrent and anti-dose dumping pharmaceutical salts useful for the treatment of attention deficit/hyperactivity disorder PISGAH LABORATORIES, INC. (US) 2014-02-18 US disclosed
US-20130338229-A1 Abuse-Deterrent Methadone for the Safe Treatment of Drug Abuse and Pain Relief Pisgah National Laboratories, Inc. (US) 2013-12-19 US disclosed
US-8586575-B1 Abuse deterrent and anti-dose dumping pharmaceutical salts useful for the treatment of attention deficit/hyperactivity disorder PISGAH LABORATORIES, INC. (US) 2013-11-19 US disclosed
US-20120028960-A1 ABUSE DETERRENT AND ANTI-DOSE DUMPING PHARMACEUTICAL SALTS USEFUL FOR THE TREATMENT OF ATTENTION DEFICIT/HYPERACTIVITY DISORDER PISGAH LABORATORIES, INC. 2012-02-02 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-20130338229-A1 Abuse-Deterrent Methadone for the Safe Treatment of Drug Abuse and Pain Relief OPRM1, OGFR, OPRK1 FAAH 1334/4885FFAR1 351/4885FFAR4 282/4885
US-20120028960-A1 ABUSE DETERRENT AND ANTI-DOSE DUMPING PHARMACEUTICAL SALTS USEFUL FOR THE TREATMENT OF ATTENTION DEFICIT/HYPERACTIVITY DISORDER COMT, SLC6A3, SLC6A2 FAAH 676/4885FFAR1 955/4885FFAR4 1467/4885

“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.