SCHEMBL5829792

SCHEMBL5829792

COCCSc1[c]c2ccccc2cc1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAP2K7 O14733 1/20 0.39
CDC25A P30304 1/20 0.39
CDC25B P30305 1/20 0.39
HSD17B10 Q99714 7/20 0.36
KMT2A Q03164 1/20 0.36
ALDH1A1 P00352 8/20 0.35
POLB P06746 3/20 0.35
PKM P14618 2/20 0.35
ALOX15 P16050 2/20 0.35
HTT P42858 1/20 0.34
LMNA P02545 2/20 0.33
GAA P10253 1/20 0.33
HPGD P15428 4/20 0.33
TDP1 Q9NUW8 3/20 0.33
ALOX12 P18054 2/20 0.33
KDM4E B2RXH2 2/20 0.32

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
SCHEMBL2464471 0.78 ELANE (0.33) MAP2K7CDC25ACDC25BALDH1A1HTT
SCHEMBL2454334 0.77 PTGS2 (0.39)
SCHEMBL6416197 0.76 PTGS2 (0.40)
SCHEMBL2498030 0.71 TSHR (0.33) ALDH1A1HPGD
SCHEMBL2460073 0.71 CYP1A2 (0.31) TDP1
SCHEMBL14734012 0.70 HSD17B10 (0.53) MAP2K7CDC25ACDC25BHSD17B10KMT2A
SCHEMBL2214684 0.70 TSHR (0.39) ALDH1A1HPGDTDP1KDM4E
SCHEMBL5829791 0.69
SCHEMBL2117748 0.68 HSD17B10 (0.44) MAP2K7CDC25ACDC25BHSD17B10KMT2A
SCHEMBL1896676 0.67 CYP1A2 (0.32)

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-20040116703-A1 8-Azabicyclo[3.2.1]oct-2-ene and -octane derivatives technical field NEUROSEARCH A/S 2004-06-17 US claimed
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 claimed
US-20020035122-A1 8-azabicyclo[3.2.1]oct-2-ene and -octane derivatives ANIONA APS (DK) 2002-03-21 US claimed
EP-1133494-A1 8-AZABICYCLO 3.2.1]OCT-2-ENE AND -OCTANE DERIVATIVES NEUROSEARCH A/S (DK) 2001-09-19 EP claimed
WO-2000032600-A1 8-AZABICYCLO[3.2.1]OCT-2-ENE AND -OCTANE DERIVATIVES NEUROSEARCH A/S (DK) 2000-06-08 WO claimed
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
US-20040116703-A1 8-Azabicyclo[3.2.1]oct-2-ene and -octane derivatives technical field NEUROSEARCH A/S 2004-06-17 US disclosed
US-20020035122-A1 8-azabicyclo[3.2.1]oct-2-ene and -octane derivatives ANIONA APS (DK) 2002-03-21 US 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 MAP2K7 1178/4885CDC25A 3299/4885CDC25B 2408/4885

“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.