SCHEMBL14840485

SCHEMBL14840485

O=Cc1cnccc1-c1cccnc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 5/20 0.57
CYP2A6 P11509 6/20 0.50
CYP3A4 P08684 4/20 0.50
ALDH1A1 P00352 2/20 0.50
CYP1A2 P05177 2/20 0.50
CYP2E1 P05181 3/20 0.49
CYP2C9 P11712 3/20 0.49
CYP2C19 P33261 3/20 0.49
CYP2B6 P20813 2/20 0.49
CYP2D6 P10635 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.44
KDM4E B2RXH2 1/20 0.44
LMNA P02545 1/20 0.44
TP53 P04637 1/20 0.44
MAPT P10636 1/20 0.44
HPGD P15428 1/20 0.44
ALOX15 P16050 1/20 0.44
HTT P42858 1/20 0.44
HSD17B10 Q99714 1/20 0.44
GSK3B P49841 1/20 0.44

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
SCHEMBL30252276 1.00 ERN1 (0.57) ERN1CYP2A6CYP3A4ALDH1A1CYP1A2
SCHEMBL2506663 0.87 TNF (0.44) ERN1CYP2A6CYP3A4ALDH1A1CYP1A2
SCHEMBL30431199 0.87 TNF (0.44) ERN1CYP2A6CYP3A4ALDH1A1CYP1A2
SCHEMBL894805 0.85 ERN1 (0.57) ERN1CYP2A6CYP3A4ALDH1A1CYP1A2
SCHEMBL1802008 0.80 ERN1 (0.59) ERN1CYP2A6CYP3A4ALDH1A1CYP1A2
SCHEMBL7101000 0.79 ERN1 (0.54) ERN1CYP2A6CYP3A4ALDH1A1CYP1A2
SCHEMBL17009195 0.78 ERN1 (0.54) ERN1CYP2A6CYP3A4ALDH1A1CYP1A2
SCHEMBL29354816 0.78 ALDH1A1 (0.43) ERN1CYP3A4ALDH1A1CYP1A2CYP2D6
SCHEMBL15949717 0.78 ERN1 (0.50) ERN1CYP2A6CYP3A4ALDH1A1CYP1A2
SCHEMBL20861889 0.78 RPS6KA3 (0.51) ERN1CYP2A6KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11174272-B2 1-arylcarbonyl-4-oxy-piperidine compounds useful for the treatment of neurodegenerative diseases TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2021-11-16 US disclosed
US-20210206781-A1 1-ARYLCARBONYL-4-OXY-PIPERIDINE COMPOUNDS USEFUL FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES TAKEDA PHARMACEUTICALS CO (JP) 2021-07-08 US disclosed
US-9440990-B2 1-arylcarbonyl-4-oxy-piperidine compounds useful for the treatment of neurodegenerative diseases TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-09-13 US disclosed
US-20150376205-A1 1-ARYLCARBONYL-4-OXY-PIPERIDINE COMPOUNDS USEFUL FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-12-31 US disclosed
US-8648079-B2 Heterocyclic compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-02-11 US disclosed
US-20130090341-A1 HETEROCYCLIC COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-04-11 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-20150376205-A1 1-ARYLCARBONYL-4-OXY-PIPERIDINE COMPOUNDS USEFUL FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, PSEN1, HTT ERN1 2218/4885CYP2A6 3280/4885CYP3A4 4115/4885
US-11174272-B2 1-arylcarbonyl-4-oxy-piperidine compounds useful for the treatment of neurodegenerative diseases SNCA, HTT, PSEN1 ERN1 2281/4885CYP2A6 3667/4885CYP3A4 4375/4885
US-20130090341-A1 HETEROCYCLIC COMPOUNDS HTT, NQO1, BDNF ERN1 3895/4885CYP2A6 2497/4885CYP3A4 3310/4885
US-20210206781-A1 1-ARYLCARBONYL-4-OXY-PIPERIDINE COMPOUNDS USEFUL FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, HTT, PSEN1 ERN1 2281/4885CYP2A6 3667/4885CYP3A4 4375/4885

“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.