SCHEMBL7375679

SCHEMBL7375679

COc1cccc(CN2CCC(CO)CC2)c1

nearest known ligand 0.65

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.65
KDM4E B2RXH2 5/20 0.62
ALDH1A1 P00352 4/20 0.62
MAPT P10636 1/20 0.62
POLB P06746 1/20 0.57
HTR1A P08908 1/20 0.56
SLC6A4 P31645 1/20 0.56
GAA P10253 1/20 0.55
DRD4 P21917 1/20 0.55
ACHE P22303 1/20 0.55
FAAH O00519 1/20 0.54

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
SCHEMBL12013920 0.84 SIGMAR1 (0.70) SIGMAR1KDM4EALDH1A1MAPTPOLB
SCHEMBL28801570 0.84 SIGMAR1 (0.70) SIGMAR1KDM4EALDH1A1MAPTPOLB
SCHEMBL8825661 0.84 SIGMAR1 (0.62) SIGMAR1KDM4EALDH1A1MAPTHTR1A
SCHEMBL28186295 0.83 SIGMAR1 (0.90) SIGMAR1KDM4EALDH1A1MAPTHTR1A
SCHEMBL20804357 0.83 SIGMAR1 (0.90) SIGMAR1KDM4EALDH1A1MAPTHTR1A
SCHEMBL6943757 0.83 SIGMAR1 (0.68) SIGMAR1KDM4EALDH1A1MAPTPOLB
SCHEMBL22829113 0.83 SIGMAR1 (0.68) SIGMAR1KDM4EALDH1A1MAPTPOLB
SCHEMBL621695 0.82 HRH3 (0.62) SIGMAR1ACHE
Hydrochloric Acid SCHEMBL11535920 0.82 SIGMAR1 (0.67) SIGMAR1KDM4EALDH1A1MAPTPOLB
SCHEMBL14492265 0.81 CXCR4 (0.62) KDM4EALDH1A1MAPTDRD4ACHE

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
EP-3484879-B1 HYDROXYQUINOLINONE COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY CHIESI FARM SPA (IT) 2020-12-30 EP disclosed
US-10196386-B2 Compounds having muscarinic receptor antagonist and beta2 adrenergic receptor agonist activity CHIESI FARMACEUTICI S.P.A. (IT) 2019-02-05 US disclosed
US-20180016267-A1 COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY CHIESI FARMACEUTICI S.P.A. (IT) 2018-01-18 US disclosed
US-20180016267-A1 COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY CHIESI FARMACEUTICI S.P.A. (IT) 2018-01-18 US disclosed
WO-2018011090-A1 HYDROXYQUINOLINONE COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY CHIESI FARMACEUTICI S.P.A. (IT) 2018-01-18 WO disclosed
WO-2002006272-A1 POLYFLUOROALKYLTRIAZOLE DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF SANOFI-SYNTHELABO (FR) 2002-01-24 WO disclosed
EP-1150972-A1 TRIAZOLE AND TETRAZOLE DERIVATIVES, AND THEIR THERAPEUTIC USE SANOFI-SYNTHELABO (FR) 2001-11-07 EP disclosed
WO-2001064671-A2 HALOIMIDAZOLE DERIVATIVES AND THEIR USE AS MUSCARINIC M3 AND SEROTONINERGIC 5-HT4 RECEPTORS SANOFI-SYNTHELABO (FR) 2001-09-07 WO disclosed
WO-2001064631-A2 DERIVES DE POLYFLUOROALKYLIMIDAZOLE ET LEUR UTILISATION EN TANT QU'ANTAGONISTES DES RECEPTEUR MUSCARINIQUES M3 ET SEROTONIQUES 5-HT4 SANOFI-SYNTHELABO (FR) 2001-09-07 WO disclosed
WO-2000046220-A1 TRIAZOLE AND TETRAZOLE DERIVATIVES, AND THEIR THERAPEUTIC USE SANOFI-SYNTHELABO (FR) 2000-08-10 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-20180016267-A1 COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY ADRB2, ADRB1, ADRA2B SIGMAR1 193/4885KDM4E 4716/4885ALDH1A1 1087/4885
US-10196386-B2 Compounds having muscarinic receptor antagonist and beta2 adrenergic receptor agonist activity ADRB2, ADRB1, ADRA2B SIGMAR1 193/4885KDM4E 4716/4885ALDH1A1 1087/4885

“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.