SCHEMBL1021890

SCHEMBL1021890

CN1C2CCCC1C(=O)N(Cc1ccccc1)C2=O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 9/20 0.61
▸ MEN1 O00255 1/20 0.53
▸ KMT2A Q03164 1/20 0.53
▸ TSHR P16473 2/20 0.50
▸ SMN1; SMN2 Q16637 2/20 0.50
▸ ADORA2A P29274 1/20 0.50
▸ MT-CO2 P00403 1/20 0.48
▸ ALOX5 P09917 1/20 0.48
▸ F2 P00734 1/20 0.47
▸ PLG P00747 1/20 0.47
▸ ELANE P08246 1/20 0.47
▸ CTSG P08311 1/20 0.47
▸ CMA1 P23946 1/20 0.47
▸ CTRC Q99895 1/20 0.47
▸ USP2 O75604 1/20 0.47
▸ LMNA P02545 1/20 0.47
▸ MAPK1 P28482 1/20 0.47
▸ NPSR1 Q6W5P4 1/20 0.47
▸ HPGD P15428 2/20 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 0.97 ALDH1A1 (0.66) ALDH1A1MEN1KMT2ATSHRSMN1; SMN2
SCHEMBL1021889 0.93 ALDH1A1 (0.60) ALDH1A1MEN1KMT2ATSHRSMN1; SMN2
SCHEMBL7829113 0.80 ALDH1A1 (0.93) ALDH1A1MEN1KMT2ATSHRSMN1; SMN2
SCHEMBL3716740 0.80 ALDH1A1 (0.93) ALDH1A1MEN1KMT2ATSHRSMN1; SMN2
SCHEMBL10008035 0.78 ALDH1A1 (0.62) ALDH1A1MEN1KMT2ATSHRSMN1; SMN2
SCHEMBL9055054 0.78 MEN1 (0.61) ALDH1A1MEN1KMT2ATSHRSMN1; SMN2
SCHEMBL7830266 0.77 ALDH1A1 (0.61) ALDH1A1MEN1KMT2ATSHRSMN1; SMN2
Hydrochloric Acid SCHEMBL5965726 0.77 ALDH1A1 (0.60) ALDH1A1MEN1KMT2ATSHRSMN1; SMN2
SCHEMBL8383162 0.76 ALDH1A1 (1.00) ALDH1A1MEN1KMT2ATSHRSMN1; SMN2
SCHEMBL8383160 0.76 ALDH1A1 (1.00) 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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8173658-B2 Diagnosis test; mixing blood or other fluid sample with test compound; analyzing, calibration; central nervous system disorders; analgesics; antiinflamamtory agents; drug abuse; anxiolytic agents; cognition activators;Alzheimer's disease; Parkinson's disease; Huntington's disease; hyperactivity NEUROSEARCH A/S (DK) 2012-05-08 — — US disclosed
US-20110142758-A1 INDOLYL-PYRIDAZINYL-DIAZABICYCLONONANE DERIVATIVES IN LABELLED AND UNLABELLED FORM AND THEIR USE IN DIAGNOSTIC METHODS NEUROSEARCH A/S (DK) 2011-06-16 — — US disclosed
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
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-2246352-A1 Novel diazabicyclic aryl derivatives and their medical use NeuroSearch AS (DK) 2010-11-03 — — EP disclosed
EP-1963323-B1 NOVEL DIAZABICYCLIC ARYL DERIVATIVES AND THEIR MEDICAL USE NEUROSEARCH AS (DK) 2010-07-14 — — EP 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-20080280912-A1 Diagnosis test; mixing blood or other fluid sample with test compound; analyzing, calibration; central nervous system disorders; analgesics; antiinflamamtory agents; drug abuse; anxiolytic agents; cognition activators;Alzheimer's disease; Parkinson's disease; Huntington's disease; hyperactivity NEUROSEARCH A/S 2008-11-13 — — US disclosed
US-20080146582-A1 disorders related to smooth muscle contraction, endocrine diseases or disorders, diseases or disorders related to neuro-degeneration, diseases or disorders related to inflammation, pain, and withdrawal symptoms caused by the termination of abuse of chemical substances NEUROSEARCH A/S (DK) 2008-06-19 — — 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 (4 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-20080146582-A1 disorders related to smooth muscle contraction, endocrine diseases or disorders, diseases or disorders related to neuro-degeneration, diseases or disorders related to inflammation, pain, and withdrawal symptoms caused by the termination of abuse of chemical substances CHRNA6, CHRNA10, CHRNA2 ALDH1A1 806/4885MEN1 2742/4885KMT2A 1865/4885
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-20080280912-A1 Diagnosis test; mixing blood or other fluid sample with test compound; analyzing, calibration; central nervous system disorders; analgesics; antiinflamamtory agents; drug abuse; anxiolytic agents; cognition activators;Alzheimer's disease; Parkinson's disease; Huntington's disease; hyperactivity ACHE, CHRNA6, CHRNA10 ALDH1A1 1049/4885MEN1 3009/4885KMT2A 1594/4885
US-20110142758-A1 INDOLYL-PYRIDAZINYL-DIAZABICYCLONONANE DERIVATIVES IN LABELLED AND UNLABELLED FORM AND THEIR USE IN DIAGNOSTIC METHODS CNR2, CNR1, HTR3E ALDH1A1 2835/4885MEN1 1808/4885KMT2A 4491/4885

“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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