SCHEMBL1024115

SCHEMBL1024115

CCOC(=O)[C@H]1CCC[C@@H](C(=O)OCC)N1C

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FKBP1A P62942 2/20 0.48
ALDH1A1 P00352 6/20 0.44
MAPT P10636 2/20 0.42
KDM4E B2RXH2 4/20 0.42
POLB P06746 1/20 0.41
TSHR P16473 1/20 0.40
MAPK1 P28482 1/20 0.40
RECQL P46063 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
PPM1B O75688 1/20 0.40
PTPN1 P18031 1/20 0.40
PPP1CC P36873 1/20 0.40

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
SCHEMBL1023157 1.00 FKBP1A (0.48) FKBP1AALDH1A1MAPTKDM4EPOLB
SCHEMBL1023246 0.92 MAPT (0.44) FKBP1AALDH1A1MAPTPOLBMEN1
SCHEMBL69308 0.92 MAPT (0.44) FKBP1AALDH1A1MAPTPOLBMEN1
SCHEMBL17343483 0.81 MAPT (0.40) FKBP1AALDH1A1MAPTKDM4EKMT2A
SCHEMBL11490823 0.81 FKBP1A (0.49) FKBP1AALDH1A1MAPTKDM4EPOLB
SCHEMBL13601738 0.81 FKBP1A (0.49) FKBP1AALDH1A1MAPTKDM4EPOLB
SCHEMBL11490824 0.81 FKBP1A (0.49) FKBP1AALDH1A1MAPTKDM4EPOLB
SCHEMBL24846753 0.79 FKBP1A (0.55) FKBP1AALDH1A1MAPTKDM4EPOLB
SCHEMBL652160 0.79 FKBP1A (0.55) FKBP1AALDH1A1MAPTKDM4EPOLB
SCHEMBL9098381 0.78 ACE (0.43) FKBP1AALDH1A1MAPTMEN1KMT2A

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-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-2252614-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) 2010-11-24 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
WO-2009109517-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) 2009-09-11 WO 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 (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-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 FKBP1A 3816/4885ALDH1A1 806/4885MAPT 1018/4885
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 FKBP1A 2121/4885ALDH1A1 354/4885MAPT 1659/4885
US-20110142758-A1 INDOLYL-PYRIDAZINYL-DIAZABICYCLONONANE DERIVATIVES IN LABELLED AND UNLABELLED FORM AND THEIR USE IN DIAGNOSTIC METHODS CNR2, CNR1, HTR3E FKBP1A 2756/4885ALDH1A1 2835/4885MAPT 3413/4885

“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.