SCHEMBL1787555

SCHEMBL1787555

CC1(C)CCC(NC(=O)OCCOc2ccc(Br)cc2)CC1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
LMNA P02545 3/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
TP53 P04637 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
RECQL P46063 2/20 0.40
MAPT P10636 1/20 0.40
RAB9A P51151 1/20 0.39
LSS P48449 1/20 0.39
KDM4E B2RXH2 1/20 0.39
TDP1 Q9NUW8 1/20 0.39

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
SCHEMBL9856401 0.72 L3MBTL1 (0.46) MEN1KMT2ALMNAL3MBTL1TP53
SCHEMBL3343106 0.71 LSS (0.46) MEN1KMT2AL3MBTL1SMN1; SMN2RAB9A
SCHEMBL28904086 0.71 MEN1 (0.59) MEN1KMT2ALMNAL3MBTL1TP53
SCHEMBL25568205 0.70 ALDH1A1 (0.67) MEN1KMT2A
SCHEMBL4763622 0.69 MEN1 (0.56) MEN1KMT2ALMNAL3MBTL1SMN1; SMN2
SCHEMBL30407763 0.68 ALDH1A1 (0.68) RAB9A
SCHEMBL17674502 0.68 ALDH1A1 (0.58) RAB9A
SCHEMBL17327881 0.67 CNR2 (0.53) MEN1KMT2ALMNASMN1; SMN2
SCHEMBL1786986 0.67 LSS (0.43) MEN1KMT2AL3MBTL1SMN1; SMN2LSS
SCHEMBL28512110 0.66 MEN1 (0.56) MEN1KMT2ALMNAL3MBTL1SMN1; SMN2

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-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-20110124559-A1 NOVEL COMPOUNDS AS ANTAGONISTS OR INVERSE AGONISTS AT OPIOID RECEPTORS SMITHKLINE BEECHAM CORPORATION (US) 2011-05-26 US disclosed
EP-2054383-A2 NOVEL COMPOUNDS AS ANTAGONISTS OR INVERSE AGONISTS AT OPIOID RECEPTORS SmithKline Beecham Corporation (US) 2009-05-06 EP disclosed
WO-2008021849-A2 NOVEL COMPOUNDS AS ANTAGONISTS OR INVERSE AGONISTS AT OPIOID RECEPTORS SMITHKLINE BEECHAM CORPORATION (US) 2008-02-21 WO 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-20110124559-A1 NOVEL COMPOUNDS AS ANTAGONISTS OR INVERSE AGONISTS AT OPIOID RECEPTORS OPRL1, OPRM1, OPRK1 MEN1 4865/4885KMT2A 3867/4885LMNA 4435/4885
US-20140323487-A1 Novel Compounds As Antagonists Or Inverse Agonists At Opioid Receptors OPRL1, OPRM1, OPRK1 MEN1 4865/4885KMT2A 3867/4885LMNA 4435/4885
US-20140100255-A1 Novel Compounds As Antagonists Or Inverse Agonists At Opioid Receptors OPRL1, OPRM1, OPRK1 MEN1 4865/4885KMT2A 3867/4885LMNA 4435/4885

“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.