SCHEMBL1787553

SCHEMBL1787553

CC1(C)CCC(CCOc2ccc(Br)cc2)(OC(N)=O)CC1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
KDM4E B2RXH2 2/20 0.38
LMNA P02545 2/20 0.37
TP53 P04637 1/20 0.37
MAPT P10636 2/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
ALDH1A1 P00352 2/20 0.36
LSS P48449 1/20 0.36
MAOB P27338 1/20 0.35
DRD1 P21728 1/20 0.35
PTGER2 P43116 1/20 0.35
HRH4 Q9H3N8 1/20 0.35

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
SCHEMBL1790101 0.77 KDM4E (0.36) RAB9ASMN1; SMN2KDM4ELMNATP53
SCHEMBL15986363 0.74 ALOX5 (0.33) ALDH1A1
SCHEMBL28512110 0.68 MEN1 (0.56) SMN1; SMN2KDM4ELMNAMAPTMEN1
SCHEMBL20912192 0.68 RYR2 (0.48) RAB9AKDM4ELMNATP53ALDH1A1
SCHEMBL1786987 0.66 ALDH1A1 (0.42) RAB9ASMN1; SMN2KDM4ELMNAMEN1
SCHEMBL29283274 0.65 LSS (0.48) RAB9ASMN1; SMN2KDM4EMEN1KMT2A
SCHEMBL3343106 0.65 LSS (0.46) RAB9ASMN1; SMN2KDM4EMEN1KMT2A
SCHEMBL1787555 0.65 MEN1 (0.50) RAB9ASMN1; SMN2KDM4ELMNATP53
SCHEMBL6441253 0.62 MAOB (0.41) SMN1; SMN2KDM4ELMNATP53MEN1
SCHEMBL6557649 0.62 MAOB (0.57) KDM4ELMNAMEN1KMT2AALDH1A1

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 RAB9A 1186/4885SMN1; SMN2 1774/4885KDM4E 3829/4885
US-20140323487-A1 Novel Compounds As Antagonists Or Inverse Agonists At Opioid Receptors OPRL1, OPRM1, OPRK1 RAB9A 1186/4885SMN1; SMN2 1774/4885KDM4E 3829/4885
US-20140100255-A1 Novel Compounds As Antagonists Or Inverse Agonists At Opioid Receptors OPRL1, OPRM1, OPRK1 RAB9A 1186/4885SMN1; SMN2 1774/4885KDM4E 3829/4885

“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.