SCHEMBL20249247

SCHEMBL20249247

CN(C)CCOc1ccc(C(C)(C)C)nn1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.46
HTR7 P34969 5/20 0.44
ALDH1A1 P00352 1/20 0.42
CHRM2 P08172 1/20 0.39
GAA P10253 1/20 0.39
MAPK1 P28482 1/20 0.39
CHRNB2 P17787 2/20 0.38
CHRNA4 P43681 2/20 0.38
HTR1B P28222 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38
KEAP1 Q14145 1/20 0.37
NFE2L2 Q16236 1/20 0.37
LTA4H P09960 1/20 0.37
DRD2 P14416 1/20 0.36
DRD1 P21728 1/20 0.36
DRD4 P21917 1/20 0.36
DRD5 P21918 1/20 0.36

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
SCHEMBL13402952 0.77 HTR7 (0.47) KDM4EHTR7CHRNB2CHRNA4HTR1B
SCHEMBL14174627 0.77 MAPT (0.43) ALDH1A1
SCHEMBL20037638 0.77 KDM4E (0.42) KDM4EALDH1A1GAACHRNB2CHRNA4
SCHEMBL3299644 0.76 HTR7 (0.46) KDM4EHTR7CHRNB2CHRNA4HTR1B
SCHEMBL18291611 0.76 HTR7 (0.46) HTR7CHRNB2CHRNA4HTR1BKEAP1
SCHEMBL20255103 0.75 HTR1B (0.42) KDM4EALDH1A1GAACHRNB2CHRNA4
SCHEMBL20249196 0.73 CHRNB2 (0.53) KDM4ECHRNB2CHRNA4HRH3KEAP1
SCHEMBL12501344 0.73 HTR7 (0.44) KDM4EHTR7CHRNB2CHRNA4HTR1B
SCHEMBL12449615 0.73 KDM4E (0.58) KDM4EHTR7ALDH1A1CHRM2GAA
SCHEMBL26796523 0.73 HTR7 (0.47) KDM4EHTR7ALDH1A1CHRNB2CHRNA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230374008-A1 BICYCLIC COMPOUNDS ALIGOS THERAPEUTICS, INC. 2023-11-23 US disclosed
US-20230374008-A1 BICYCLIC COMPOUNDS ALIGOS THERAPEUTICS, INC. 2023-11-23 US disclosed
US-20180161329-A1 PYRIDO[3,4-D]PYRIMIDINE DERIVATIVE AND PHARMACEUTICALLY ACCEPTABLE SALT THEREOF TEIJIN PHARMA LIMITED (JP) 2018-06-14 US disclosed
US-20180161329-A1 PYRIDO[3,4-D]PYRIMIDINE DERIVATIVE AND PHARMACEUTICALLY ACCEPTABLE SALT THEREOF TEIJIN PHARMA LIMITED (JP) 2018-06-14 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 (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-20180161329-A1 PYRIDO[3,4-D]PYRIMIDINE DERIVATIVE AND PHARMACEUTICALLY ACCEPTABLE SALT THEREOF CDK4, CDK6, CDK16 KDM4E 470/4885HTR7 2536/4885ALDH1A1 944/4885
US-20230374008-A1 BICYCLIC COMPOUNDS SLC10A1, PKD1, CYP11B2 KDM4E 4157/4885HTR7 1892/4885ALDH1A1 543/4885

“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.