SCHEMBL971931

SCHEMBL971931

CCCCCc1nnc(S)o1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.44
▸ ALDH1A1 P00352 2/20 0.32
▸ TSHR P16473 3/20 0.32
▸ MEN1 O00255 3/20 0.32
▸ KMT2A Q03164 3/20 0.32
▸ LMNA P02545 1/20 0.32
▸ KCNH2 Q12809 1/20 0.31
▸ RAB9A P51151 2/20 0.31
▸ NPC1 O15118 1/20 0.31
▸ CYP1A2 P05177 1/20 0.31
▸ CYP2C19 P33261 1/20 0.31
▸ MCL1 Q07820 1/20 0.31
▸ PPARA Q07869 1/20 0.30
▸ HSD17B10 Q99714 1/20 0.30

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
SCHEMBL5699552 0.98 MAPT (0.47) MAPTALDH1A1TSHRMEN1KMT2A
SCHEMBL9224510 0.98 MAPT (0.47) MAPTALDH1A1TSHRMEN1KMT2A
SCHEMBL6558491 0.98 MAPT (0.47) MAPTALDH1A1TSHRMEN1KMT2A
SCHEMBL11682358 0.94 MAPT (0.41) MAPTALDH1A1TSHRMEN1KMT2A
SCHEMBL5699528 0.88 EPHX2 (0.40) MAPT
SCHEMBL5699522 0.88 EPHX2 (0.40) MAPT
SCHEMBL1063939 0.84 MAPT (0.52) MAPTALDH1A1TSHRMEN1KMT2A
SCHEMBL29713365 0.77 MAPT (0.45) MAPTALDH1A1TSHRMEN1KMT2A
SCHEMBL21210733 0.75 MAPT (0.48) MAPTALDH1A1TSHRMEN1KMT2A
SCHEMBL21217064 0.75 MAPT (0.48) MAPTALDH1A1TSHRMEN1KMT2A

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
EP-2316836-A1 Substituted diazabicycloalkane derivatives as ligands at alpha 7 nicotinic acetylcholine receptors Abbott Laboratories (US) 2011-05-04 — — EP disclosed
US-7872010-B2 Substituted diazabicycloalkane derivatives having affinity for nicotinic acetylcholine receptors ABBOTT LABORATORIES (US) 2011-01-18 — — US disclosed
US-20080275048-A1 Substituted Diazabicycloalkane Derivates ABBOTT LABORATORIES (US) 2008-11-06 — — US disclosed
US-7399765-B2 Substituted diazabicycloalkane derivatives ABBOTT LABORATORIES (US) 2008-07-15 — — US disclosed
EP-1664045-A1 SUBSTITUTED DIAZABICYCLOALKANE DERIVATIVES AS LIGANDS AT ALPHA 7 NICOTINIC ACETYLCHOLINE RECEPTORS Abbott Laboratories (US) 2006-06-07 — — EP disclosed
US-20050101602-A1 For example, 3-(6-phenyl-pyridazin-3-yl)-3,8-diaza-bicyclo[3.2.1]octane; for treatment or prevention of conditions and disorders related to nAChR activity, and more particularly alpha 7 nAChR activity, such as attention deficit disorder, attention deficit hyperactivity disorder, Alzheimer's disease ABBVIE INC. 2005-05-12 — — US disclosed
WO-2005028477-A1 SUBSTITUTED DIAZABICYCLOALKANE DERIVATIVES AS LIGANDS AT ALPHA 7 NICOTINIC ACETY LCHOLINE RECEPTORS ABBOTT LABORATORIES (US) 2005-03-31 — — 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-20080275048-A1 Substituted Diazabicycloalkane Derivates CHRNA7, CHRNA1, CHRNA2 MAPT 3323/4885ALDH1A1 584/4885TSHR 741/4885
US-20050101602-A1 For example, 3-(6-phenyl-pyridazin-3-yl)-3,8-diaza-bicyclo[3.2.1]octane; for treatment or prevention of conditions and disorders related to nAChR activity, and more particularly alpha 7 nAChR activity, such as attention deficit disorder, attention deficit hyperactivity disorder, Alzheimer's disease CHRNA7, CHRNA2, CHRNA6 MAPT 333/4885ALDH1A1 272/4885TSHR 1509/4885

“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.

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