SCHEMBL5829593

SCHEMBL5829593

COCCOc1ccc2cc(Br)ccc2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.47
MAPK1 P28482 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
FBP1 P09467 1/20 0.47
MAPT P10636 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
LMNA P02545 3/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
RXFP1 Q9HBX9 3/20 0.44
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
NCEH1 Q6PIU2 1/20 0.44
MAOB P27338 2/20 0.42
NPSR1 Q6W5P4 1/20 0.42
CYP2A6 P11509 1/20 0.42
KDM1A O60341 1/20 0.42
SLC6A2 P23975 1/20 0.42
SLC6A4 P31645 1/20 0.42

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
SCHEMBL31498434 1.00 KDM4E (0.47) KDM4EMAPK1TDP1FBP1MAPT
SCHEMBL24150735 0.96 KDM4E (0.49) KDM4EMAPK1TDP1FBP1MAPT
SCHEMBL12745131 0.95 KDM4E (0.56) KDM4EMAPK1TDP1FBP1MAPT
SCHEMBL31498483 0.95 KDM4E (0.56) KDM4EMAPK1TDP1FBP1MAPT
SCHEMBL30334792 0.83 CA12 (0.50) KDM4EMAPK1TDP1MAPTLMNA
SCHEMBL29843581 0.83 LMNA (0.45) KDM4EMAPK1MAPTSMN1; SMN2NPC1
SCHEMBL5829630 0.83 LMNA (0.45) KDM4EMAPK1MAPTSMN1; SMN2NPC1
SCHEMBL4057003 0.83 CA12 (0.50) KDM4EMAPK1TDP1MAPTSMN1; SMN2
SCHEMBL1608519 0.83 CA12 (0.50) KDM4EMAPK1TDP1MAPTLMNA
SCHEMBL14930516 0.82 CYP1A2 (0.54) KDM4EMAPK1TDP1MAPTSMN1; 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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7045522-B2 8-Azabicyclo[3.2.1]oct-2-ene and -octane derivatives technical field NEUROSEARCH A/S (DK) 2006-05-16 US disclosed
CN-1231483-C 8-azabicyclo [3.2.1] oct-2-ene and-octane derivatives NEUROSEARCH AS (DK) 2005-12-14 CN disclosed
US-20040116703-A1 8-Azabicyclo[3.2.1]oct-2-ene and -octane derivatives technical field NEUROSEARCH A/S 2004-06-17 US disclosed
EP-1133494-B1 8-AZABICYCLO 3.2.1]OCT-2-ENE AND -OCTANE DERIVATIVES NEUROSEARCH AS (DK) 2004-02-18 EP disclosed
EP-1382605-A2 8-azabicyclo(3.2.1)oct-2-ene derivatives and their use as nAChR ligands NEUROSEARCH A/S (DK) 2004-01-21 EP disclosed
US-6680328-B2 CHOLINERGIC LIGANDS OF NICOTINIC ACETYL CHOLINE RECEPTORS FOR TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS, SMOOTH MUSCLE CONTRACTION DISORDERS, ENDOCRINE DISEASES/DISORDERS, NEURODEGENERATION, INFLAMMATION, PAIN, AND DRUG WITHDRAWAL NEUROSEARCH A/S (DK) 2004-01-20 US disclosed
US-20020035122-A1 8-azabicyclo[3.2.1]oct-2-ene and -octane derivatives ANIONA APS (DK) 2002-03-21 US disclosed
CN-1326456-A 8-azabicyclo [3,.2.1] oct-2-ene and-octane derivatives NEUROSEARCH AS (DK) 2001-12-12 CN disclosed
EP-1133494-A1 8-AZABICYCLO 3.2.1]OCT-2-ENE AND -OCTANE DERIVATIVES NEUROSEARCH A/S (DK) 2001-09-19 EP disclosed
WO-2000032600-A1 8-AZABICYCLO[3.2.1]OCT-2-ENE AND -OCTANE DERIVATIVES NEUROSEARCH A/S (DK) 2000-06-08 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 (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-20020035122-A1 8-azabicyclo[3.2.1]oct-2-ene and -octane derivatives CHRNA2, CHRNA7, CHRNA10 KDM4E 631/4885MAPK1 1026/4885TDP1 665/4885

“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.