SCHEMBL3339690

SCHEMBL3339690

NC(=O)c1cccc(-c2ccc3c(c2)CC(NC(=O)O)C3)c1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TDP2 O95551 1/20 0.49
FAAH O00519 2/20 0.46
TRPA1 O75762 1/20 0.46
EPHX2 P34913 1/20 0.46
FAAH2 Q6GMR7 1/20 0.46
MGLL Q99685 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
CSF1R P07333 1/20 0.43
FLT1 P17948 1/20 0.43
FLT3 P36888 1/20 0.43
ERN1 O75460 1/20 0.43
NR1H2 P55055 1/20 0.42
PRMT5 O14744 1/20 0.42
DHODH Q02127 2/20 0.42
ADRB3 P13945 1/20 0.41
PRF1 P14222 1/20 0.41
GRIA2 P42262 1/20 0.41
AAK1 Q2M2I8 1/20 0.41
ADAMTS4 O75173 1/20 0.40

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
SCHEMBL12651360 0.83 NR1H2 (0.49) TDP2FAAHTRPA1EPHX2FAAH2
SCHEMBL1788762 0.82 TDP2 (0.54) TDP2FAAHTRPA1EPHX2FAAH2
SCHEMBL1786427 0.77 TDP2 (0.46) TDP2FAAHTRPA1EPHX2FAAH2
SCHEMBL28667688 0.77 FAAH (0.66) FAAHTRPA1EPHX2FAAH2MGLL
Trifluoroacetic Acid SCHEMBL3339283 0.74 DPP4 (0.43) TDP2FAAHTRPA1EPHX2FAAH2
SCHEMBL1789638 0.74 TDP2 (0.45) TDP2CSF1RFLT1FLT3ERN1
SCHEMBL1785708 0.73 HDAC1 (0.60) TDP2FAAHEPHX2PRMT5
SCHEMBL12651505 0.73 OPRM1 (0.58) TDP2FAAHPRMT5
SCHEMBL12651264 0.73 OPRM1 (0.58) TDP2FAAHPRMT5
SCHEMBL12651508 0.73 OPRM1 (0.58) TDP2FAAHPRMT5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140323487-A1 Novel Compounds As Antagonists Or Inverse Agonists At Opioid Receptors GLAXOSMITHKLINE LLC 2014-10-30 US disclosed
US-8822518-B2 Compounds as antagonists or inverse agonists of opioid receptors for treatment of addiction GLAXOSMITHKLINE LLC (US) 2014-09-02 US disclosed
US-20140100255-A1 Novel Compounds As Antagonists Or Inverse Agonists At Opioid Receptors GLAXOSMITHKLINE LLC (US) 2014-04-10 US disclosed
US-8633175-B2 Compounds as antagonists or inverse agonists at opioid receptors GLAXOSMITHKLINE LLC (US) 2014-01-21 US disclosed
US-20100113512-A1 METHOD OF TREATMENT USING NOVEL ANTAGONISTS OR INVERSE AGONISTS AT OPIOID RECEPTORS IGNAR DIANE MICHELE 2010-05-06 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-20100113512-A1 METHOD OF TREATMENT USING NOVEL ANTAGONISTS OR INVERSE AGONISTS AT OPIOID RECEPTORS OPRL1, OPRD1, OPRK1 TDP2 4641/4885FAAH 166/4885TRPA1 1049/4885
US-20140323487-A1 Novel Compounds As Antagonists Or Inverse Agonists At Opioid Receptors OPRL1, OPRM1, OPRK1 TDP2 4533/4885FAAH 397/4885TRPA1 174/4885
US-20140100255-A1 Novel Compounds As Antagonists Or Inverse Agonists At Opioid Receptors OPRL1, OPRM1, OPRK1 TDP2 4533/4885FAAH 397/4885TRPA1 174/4885

“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.