SCHEMBL1758838

SCHEMBL1758838

C1CCCCC(N2CCCCCCCN2)CCC1.c1c[nH]c(-c2conn2)c1

nearest known ligand 0.34

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
PBRM1 Q86U86 1/20 0.34

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
SCHEMBL13278793 0.78 PBRM1 (0.31) PBRM1
SCHEMBL1395939 0.75 HRH4 (0.32)
SCHEMBL22470605 0.74 KDM4C (0.37) PBRM1
SCHEMBL92711 0.68 HTR6 (0.43)
SCHEMBL18480 0.68 HTR6 (0.43)
SCHEMBL18189054 0.68 HTR6 (0.43)
SCHEMBL9290791 0.68 HTR6 (0.43)
SCHEMBL780212 0.68 HTR6 (0.43)
SCHEMBL8166655 0.68 HTR6 (0.43)
SCHEMBL27467945 0.68 HTR6 (0.43)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120288443-A1 LABELLED PYRROLYL-OXADIAZOLYL-DIAZABICYCLONONANE DERIVATIVES AND THEIR USE IN DIAGNOSTIC METHODS NEUROSEARCH A/S (DK) 2012-11-15 US claimed
EP-2498826-A1 LABELLED PYRROLYL-OXADIAZOLYL-DIAZABICYCLONONANE DERIVATIVES AND THEIR USE IN DIAGNOSTIC METHODS NeuroSearch AS (DK) 2012-09-19 EP claimed
WO-2011058002-A1 LABELLED PYRROLYL-OXADIAZOLYL-DIAZABICYCLONONANE DERIVATIVES AND THEIR USE IN DIAGNOSTIC METHODS NEUROSEARCH A/S (DK) 2011-05-19 WO claimed
US-8946412-B2 Diazabicyclononyl oxadiazole compounds and their use as nicotinic acetylcholine receptor modulators DANPET AB (SE) 2015-02-03 US disclosed
US-20130004428-A1 DIAZABICYCLONONYL OXADIAZOLE COMPOUNDS AND THEIR USE AS NICOTINIC ACETYLCHOLINE RECEPTOR MODULATORS NEUROSEARCH A/S (DK) 2013-01-03 US disclosed
US-20120288443-A1 LABELLED PYRROLYL-OXADIAZOLYL-DIAZABICYCLONONANE DERIVATIVES AND THEIR USE IN DIAGNOSTIC METHODS NEUROSEARCH A/S (DK) 2012-11-15 US disclosed
EP-2513097-A1 DIAZABICYCLONONYL OXADIAZOLE COMPOUNDS AND THEIR USE AS NICOTINIC ACETYLCHOLINE RECEPTOR MODULATORS NeuroSearch AS (DK) 2012-10-24 EP disclosed
EP-2498826-A1 LABELLED PYRROLYL-OXADIAZOLYL-DIAZABICYCLONONANE DERIVATIVES AND THEIR USE IN DIAGNOSTIC METHODS NeuroSearch AS (DK) 2012-09-19 EP disclosed
WO-2011073296-A1 DIAZABICYCLONONYL OXADIAZOLE COMPOUNDS AND THEIR USE AS NICOTINIC ACETYLCHOLINE RECEPTOR MODULATORS NEUROSEARCH A/S (DK) 2011-06-23 WO disclosed
WO-2011058002-A1 LABELLED PYRROLYL-OXADIAZOLYL-DIAZABICYCLONONANE DERIVATIVES AND THEIR USE IN DIAGNOSTIC METHODS NEUROSEARCH A/S (DK) 2011-05-19 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 (2 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-20120288443-A1 LABELLED PYRROLYL-OXADIAZOLYL-DIAZABICYCLONONANE DERIVATIVES AND THEIR USE IN DIAGNOSTIC METHODS GRM3, SSTR3, OXGR1 PBRM1 2562/4885
US-20130004428-A1 DIAZABICYCLONONYL OXADIAZOLE COMPOUNDS AND THEIR USE AS NICOTINIC ACETYLCHOLINE RECEPTOR MODULATORS CHRNA3, CHRNA1, CHRNA5 PBRM1 3513/4885

“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.