SCHEMBL1021889

SCHEMBL1021889

CN1C2CCC1C(=O)N(Cc1ccccc1)C2=O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.60
▸ MEN1 O00255 1/20 0.56
▸ KMT2A Q03164 1/20 0.56
▸ TSHR P16473 1/20 0.53
▸ SMN1; SMN2 Q16637 1/20 0.53
▸ ELANE P08246 2/20 0.50
▸ F2 P00734 1/20 0.50
▸ PLG P00747 1/20 0.50
▸ CTSG P08311 1/20 0.50
▸ CMA1 P23946 1/20 0.50
▸ CTRC Q99895 1/20 0.50
▸ ADORA2A P29274 1/20 0.49
▸ ACHE P22303 1/20 0.48
▸ EP300 Q09472 1/20 0.47
▸ GSK3A P49840 1/20 0.47
▸ GSK3B P49841 1/20 0.47
▸ MGLL Q99685 1/20 0.47
▸ KDM4E B2RXH2 1/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ CYP1A2 P05177 1/20 0.47

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
SCHEMBL1449456 0.93 ALDH1A1 (0.66) ALDH1A1MEN1KMT2ATSHRSMN1; SMN2
SCHEMBL1021890 0.93 ALDH1A1 (0.61) ALDH1A1MEN1KMT2ATSHRSMN1; SMN2
SCHEMBL10008035 0.84 ALDH1A1 (0.62) ALDH1A1MEN1KMT2ATSHRSMN1; SMN2
Hydrochloric Acid SCHEMBL5965726 0.83 ALDH1A1 (0.60) ALDH1A1MEN1KMT2ATSHRSMN1; SMN2
SCHEMBL9055054 0.80 MEN1 (0.61) ALDH1A1MEN1KMT2ATSHRSMN1; SMN2
SCHEMBL11776863 0.76 ALDH1A1 (0.47) ALDH1A1MEN1KMT2ATSHRSMN1; SMN2
SCHEMBL10031595 0.76 KMT2A (0.66) ALDH1A1MEN1KMT2ATSHRSMN1; SMN2
SCHEMBL9975770 0.76 KMT2A (0.66) ALDH1A1MEN1KMT2ATSHRSMN1; SMN2
SCHEMBL16759895 0.75 KMT2A (0.70) ALDH1A1MEN1KMT2ATSHRSMN1; SMN2
SCHEMBL16775234 0.75 KMT2A (0.70) ALDH1A1MEN1KMT2ATSHRSMN1; 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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110092487-A1 NOVEL 3,8-DIAZA-BICYCLO[3.2.1]OCTANE-AND 3,9-DIAZA-BICYCLO[3.3.1]-NONANE-3-CARBOXYLIC ACID ESTER DERIVATIVES AND THEIR USE AS MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS NEUROSEARCH A/S (DK) 2011-04-21 — — US disclosed
US-7910578-B2 8,10-diaza-bicyclo[4.3.1]decane derivatives and their medical use NEUROSEARCH A/S (DK) 2011-03-22 — — US disclosed
EP-1863819-B1 DIAZABICYCLIC ARYL DERIVATIVES AND THEIR USE AS CHINOLINERGIC LIGANDS AT THE NICOTINIC ACETYLCHOLINE RECEPTORS NEUROSEARCH AS (DK) 2011-01-12 — — EP disclosed
EP-1805183-B1 NOVEL DIAZABICYCLIC ARYL DERIVATIVES AND THEIR MEDICAL USE NEUROSEARCH AS (DK) 2010-12-29 — — EP disclosed
US-7704991-B2 Substituted diazabicyclo derivatives and their use as monoamine neurotransmitter re-uptake inhibitors NEUROSEARCH A/S (DK) 2010-04-27 — — US disclosed
US-7662812-B2 Diazabicyclic aryl derivatives and their use as chinolinergic ligands at nicotinic acetylcholine receptors NEUROSEARCH A/S (DK) 2010-02-16 — — US disclosed
US-7612074-B2 Diazabicyclic aryl derivatives as cholinergy ligands NEUROSEARCH A/S (DK) 2009-11-03 — — US disclosed
US-20090099153-A1 NOVEL 8,10-DIAZA-BICYCLO[4.3.1]DECANE DERIVATIVES AND THEIR MEDICAL USE ANIONA APS (DK) 2009-04-16 — — US disclosed
EP-1819709-B1 NOVEL DIAZABICYCLIC ARYL DERIVATIVES AS CHOLINERGY LIGANDS NEUROSEARCH AS (DK) 2009-02-11 — — EP disclosed
US-20080280882-A1 Novel Substituted Diazabicyclo Derivatives and Their Use as Monoamine Neurotransmitter Re-Uptake Inhibitors NEUROSEARCH A/S (DK) 2008-11-13 — — US disclosed
WO-2006106090-A1 NOVEL SUBSTITUTED DIAZABICYCLO DERIVATIVES AND THEIR USE AS MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS NEUROSEARCH A/S (DK) 2006-10-12 — — WO disclosed
EP-0460116-A4 9-SUBSTITUTED-8-UNSUBSTITUTED-9-DEAZAGUANINES — 1992-05-13 — — EP disclosed
EP-0288519-A4 1-TERTIARY-ALKYL-SUBSTITUTED NAPHTHYRIDINE- AND QUINOLINE-CARBOXYLIC ACID ANTIBACTERIAL AGENTS — 1992-04-15 — — EP disclosed
EP-0460116-A1 9-SUBSTITUTED-8-UNSUBSTITUTED-9-DEAZAGUANINES. BIOCRYST (US) 1991-12-11 — — EP disclosed
US-4965273-A Certain 1-tertiary-butyl-naphthyridone carboxylic acid derivatives anti-bacterial agents BRISTOL-MYERS COMPANY (US) 1990-10-23 — — US disclosed
US-4954507-A 1-tertiary-alkyl-substituted naphthyridine carboxylic acid antibacterial agents BRISTOL-MYERS COMPANY (US) 1990-09-04 — — US disclosed
EP-0288519-A1 1-TERTIARY-ALKYL-SUBSTITUTED NAPHTHYRIDINE- AND QUINOLINE-CARBOXYLIC ACID ANTIBACTERIAL AGENTS Bristol-Myers Squibb Company (US) 1988-11-02 — — EP disclosed
WO-1988002627-A1 1-TERTIARY-ALKYL-SUBSTITUTED NAPHTHYRIDINE- AND QUINOLINE-CARBOXYLIC ACID ANTIBACTERIAL AGENTS BRISTOL-MYERS COMPANY (US) 1988-04-21 — — WO disclosed
US-3951980-A 3-Substituted-8-methyl-3,8-diazabicyclo[3.2.1]octanes STANFORD RESEARCH INSTITUTE (US) 1976-04-20 — — US disclosed
US-3947445-A Diazabicyclooctanes and diazabicycloheptanes STANFORD RESEARCH INSTITUTE (US) 1976-03-30 — — US 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-20110092487-A1 NOVEL 3,8-DIAZA-BICYCLO[3.2.1]OCTANE-AND 3,9-DIAZA-BICYCLO[3.3.1]-NONANE-3-CARBOXYLIC ACID ESTER DERIVATIVES AND THEIR USE AS MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS SLC18A2, SLC6A2, SLC18A3 ALDH1A1 354/4885MEN1 2207/4885KMT2A 2029/4885
US-20090099153-A1 NOVEL 8,10-DIAZA-BICYCLO[4.3.1]DECANE DERIVATIVES AND THEIR MEDICAL USE CHRNA10, CHRNA7, CHRNA3 ALDH1A1 1167/4885MEN1 3963/4885KMT2A 2568/4885
US-20080280882-A1 Novel Substituted Diazabicyclo Derivatives and Their Use as Monoamine Neurotransmitter Re-Uptake Inhibitors SLC18A2, SLC6A2, SLC6A3 ALDH1A1 780/4885MEN1 1502/4885KMT2A 1756/4885

“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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