SCHEMBL3345753

SCHEMBL3345753

NC(=O)c1cccc(-c2cccc(CCNC(=O)O)c2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 2/20 0.53
CFD P00746 1/20 0.49
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
HDAC3 O15379 1/20 0.46
HDAC4 P56524 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC7 Q8WUI4 1/20 0.46
HDAC2 Q92769 1/20 0.46
HDAC10 Q969S8 1/20 0.46
HDAC11 Q96DB2 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
HDAC9 Q9UKV0 1/20 0.46
HDAC5 Q9UQL6 1/20 0.46
F10 P00742 2/20 0.45
HSP90AA1 P07900 2/20 0.45
FNTA P49354 1/20 0.44
FNTB P49356 1/20 0.44
SHMT1 P34896 1/20 0.44

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
SCHEMBL3340166 0.90 AOC3 (0.51) FAAHNPC1RAB9AF10AOC3
SCHEMBL3454053 0.84 HDAC2 (0.66) FAAHCFDNPC1RAB9AHDAC3
SCHEMBL21049906 0.82 AKR1C3 (0.53) NPC1RAB9AAKR1C3AOC3
SCHEMBL12651361 0.81 FAAH (0.52) FAAHSHMT1FLT1
SCHEMBL1788673 0.80 TAAR1 (0.49) FAAHCFDAOC3DHODH
SCHEMBL5374261 0.79 PLAAT3 (0.49) FAAHAOC3
SCHEMBL7083851 0.79 F10 (0.60) NPC1RAB9AHDAC3HDAC4HDAC1
SCHEMBL12651258 0.78 FAAH (0.43) FAAHCFDNPC1RAB9AHDAC1
SCHEMBL12505592 0.77 HDAC2 (0.55) NPC1RAB9AHDAC3HDAC4HDAC1
SCHEMBL901874 0.77 ASIC3 (0.47) CFD

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 FAAH 166/4885CFD 4700/4885NPC1 3112/4885
US-20140323487-A1 Novel Compounds As Antagonists Or Inverse Agonists At Opioid Receptors OPRL1, OPRM1, OPRK1 FAAH 397/4885CFD 4628/4885NPC1 3467/4885
US-20140100255-A1 Novel Compounds As Antagonists Or Inverse Agonists At Opioid Receptors OPRL1, OPRM1, OPRK1 FAAH 397/4885CFD 4628/4885NPC1 3467/4885

“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.