SCHEMBL4322787

SCHEMBL4322787

CC(Oc1ccccc1)N1CCCCC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB4 P30926 3/20 0.47
CHRNA3 P32297 3/20 0.47
CYP2D6 P10635 8/20 0.47
CYP3A4 P08684 6/20 0.47
CYP2C19 P33261 6/20 0.47
CYP1A2 P05177 5/20 0.47
CYP2C9 P11712 4/20 0.47
KCNA5 P22460 4/20 0.47
KCNH2 Q12809 4/20 0.47
KCNE1 P15382 1/20 0.47
LTA4H P09960 1/20 0.43
KMT2A Q03164 2/20 0.41
ALDH1A1 P00352 2/20 0.41
MEN1 O00255 1/20 0.41
LMNA P02545 1/20 0.41
CHRNA1 P02708 1/20 0.41
CHRNG P07510 1/20 0.41
CHRNB1 P11230 1/20 0.41
CHRNB2 P17787 1/20 0.41
SLC6A2 P23975 1/20 0.41

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
SCHEMBL14966522 1.00 CHRNB4 (0.47) CHRNB4CHRNA3CYP2D6CYP3A4CYP2C19
SCHEMBL3160983 0.98 CHRNB4 (0.49) CHRNB4CHRNA3CYP2D6CYP3A4CYP2C19
SCHEMBL6632600 0.87 ALOX15 (0.50) CYP2C19CYP1A2CYP2C9KCNH2LTA4H
SCHEMBL5387820 0.83 CHRNB4 (0.42) CHRNB4CHRNA3CYP2D6CYP2C19CYP1A2
SCHEMBL5111199 0.81 ALDH1A1 (0.33) CHRNB4CHRNA3CYP2D6CYP3A4CYP2C19
SCHEMBL5122546 0.81 ALDH1A1 (0.33) CHRNB4CHRNA3CYP2D6CYP3A4CYP2C19
SCHEMBL7451551 0.81 MEN1 (0.50) CHRNB4CHRNA3CYP2D6KCNH2LTA4H
SCHEMBL5115964 0.81 ALDH1A1 (0.33) CHRNB4CHRNA3CYP2D6CYP3A4CYP2C19
SCHEMBL6731066 0.81 SIGMAR1 (0.43) KMT2AALDH1A1LMNA
SCHEMBL5122082 0.81 ALDH1A1 (0.33) CHRNB4CHRNA3CYP2D6CYP3A4CYP2C19

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2867207-B1 PHENOXYETHYL PIPERIDINE COMPOUNDS LILLY CO ELI (US) 2017-08-09 EP disclosed
CN-104411684-B Phenoxyethyl piperidine compounds 伊莱利利公司 2016-08-24 CN disclosed
CN-104411684-B Phenoxyethyl piperidine compounds 伊莱利利公司 2016-08-24 CN disclosed
US-9402838-B2 Phenoxyethyl piperidine compounds ELI LILLY AND COMPANY (US) 2016-08-02 US disclosed
US-9402838-B2 Phenoxyethyl piperidine compounds ELI LILLY AND COMPANY (US) 2016-08-02 US disclosed
US-20150126555-A1 PHENOXYETHYL PIPERIDINE COMPOUNDS ELANCO US INC. 2015-05-07 US disclosed
EP-2867207-A1 PHENOXYETHYL PIPERIDINE COMPOUNDS Eli Lilly and Company (US) 2015-05-06 EP disclosed
CN-104411684-A Phenoxyethyl piperidine compounds LILLY CO ELI 2015-03-11 CN disclosed
CN-104411684-A Phenoxyethyl piperidine compounds LILLY CO ELI 2015-03-11 CN disclosed
US-8962659-B2 Phenoxyethyl piperidine compounds ELI LILLY AND COMPANY (US) 2015-02-24 US disclosed
US-8962659-B2 Phenoxyethyl piperidine compounds ELI LILLY AND COMPANY (US) 2015-02-24 US disclosed
WO-2014004229-A1 PHENOXYETHYL PIPERIDINE COMPOUNDS ELI LILLY AND COMPANY (US) 2014-01-03 WO disclosed
US-20140005226-A1 PHENOXYETHYL PIPERIDINE COMPOUNDS ELANCO US INC. 2014-01-02 US disclosed
US-20090069340-A1 Pyrazolone Compounds As Metabotropic Glutamate Receptor Agonists For The Treatment Of Neurological And Psychiatric Disorders ASTRAZENECA AB (SE) 2009-03-12 US disclosed
EP-1833800-A1 PYRAZOLONE COMPOUNDS AS METABOTROPIC GLUTAMATE RECEPTOR AGONISTS FOR THE TREATMENT OF NEUROLOGICAL AND PSYCHIATRIC DISORDERS AstraZeneca AB (SE) 2007-09-19 EP disclosed
WO-2006071730-A1 PYRAZOLONE COMPOUNDS AS METABOTROPIC GLUTAMATE RECEPTOR AGONISTS FOR THE TREATMENT OF NEUROLOGICAL AND PSYCHIATRIC DISORDERS ASTRAZENECA AB (SE) 2006-07-06 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 (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-20140005226-A1 PHENOXYETHYL PIPERIDINE COMPOUNDS EP300, HRH3, H1-2 CHRNB4 2552/4885CHRNA3 1359/4885CYP2D6 958/4885
US-20150126555-A1 PHENOXYETHYL PIPERIDINE COMPOUNDS EP300, HRH3, H1-2 CHRNB4 2552/4885CHRNA3 1359/4885CYP2D6 958/4885
US-20090069340-A1 Pyrazolone Compounds As Metabotropic Glutamate Receptor Agonists For The Treatment Of Neurological And Psychiatric Disorders GRIN1, GRM1, GRIN3A CHRNB4 135/4885CHRNA3 46/4885CYP2D6 2016/4885

“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.