SCHEMBL1785224

SCHEMBL1785224

NC(=O)c1ccc(-c2ccc(CNCCc3cccs3)s2)cc1.NC(=O)c1ccc(Br)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.42
OPRD1 P41143 1/20 0.42
OPRK1 P41145 1/20 0.42
HDAC8 Q9BY41 2/20 0.42
HDAC3 O15379 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC2 Q92769 1/20 0.42
SMN1; SMN2 Q16637 4/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
POLB P06746 2/20 0.41
LMNA P02545 3/20 0.41
NPC1 O15118 4/20 0.39
RAB9A P51151 4/20 0.39
HDAC6 Q9UBN7 1/20 0.39
TAAR1 Q96RJ0 1/20 0.39
ABL1 P00519 1/20 0.38
BCR P11274 1/20 0.38
RORC P51449 1/20 0.38
KDM4E B2RXH2 1/20 0.37
HTR6 P50406 1/20 0.37

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
SCHEMBL12607760 0.95 OPRM1 (0.46) OPRM1OPRD1OPRK1HDAC8HDAC3
Trifluoroacetic Acid SCHEMBL3342509 0.88 OPRM1 (0.41) OPRM1OPRD1OPRK1HDAC8HDAC3
SCHEMBL1787656 0.83 OPRM1 (0.44) OPRM1OPRD1OPRK1HDAC8HDAC1
SCHEMBL1786895 0.82 RAB9A (0.45) HDAC8HDAC3HDAC1HDAC2SMN1; SMN2
SCHEMBL12651250 0.77 OPRM1 (0.48) OPRM1OPRD1OPRK1HDAC8HDAC1
SCHEMBL4963842 0.77 OPRM1 (0.48) OPRM1OPRD1OPRK1HDAC8SMN1; SMN2
SCHEMBL3342513 0.75 MEN1 (0.44) HDAC8HDAC3HDAC1HDAC2SMN1; SMN2
SCHEMBL1789352 0.74 OPRM1 (0.48) OPRM1OPRD1OPRK1HDAC8HDAC3
Trifluoroacetic Acid SCHEMBL1785288 0.74 RORC (0.44) OPRM1OPRD1OPRK1HDAC8HDAC3
SCHEMBL12607762 0.73 RORC (0.50) OPRM1OPRD1OPRK1HDAC8HDAC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8633175-B2 Compounds as antagonists or inverse agonists at opioid receptors GLAXOSMITHKLINE LLC (US) 2014-01-21 US disclosed
US-20110124559-A1 NOVEL COMPOUNDS AS ANTAGONISTS OR INVERSE AGONISTS AT OPIOID RECEPTORS SMITHKLINE BEECHAM CORPORATION (US) 2011-05-26 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 (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-20110124559-A1 NOVEL COMPOUNDS AS ANTAGONISTS OR INVERSE AGONISTS AT OPIOID RECEPTORS OPRL1, OPRM1, OPRK1 OPRM1 2/4885OPRD1 4/4885OPRK1 3/4885

“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.