SCHEMBL3570338

SCHEMBL3570338

O=C(O)c1ccc2nc(C3CC3)ncc2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.41
HPGDS O60760 3/20 0.41
MGAM O43451 1/20 0.41
NPC1 O15118 4/20 0.40
RAB9A P51151 4/20 0.40
KDM4E B2RXH2 2/20 0.40
HKDC1 Q2TB90 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CSNK2A1 P68400 4/20 0.39
CSNK2A2 P19784 2/20 0.39
CSNK2B P67870 2/20 0.39
GAA P10253 2/20 0.39
HSD17B10 Q99714 1/20 0.39
HCAR3 P49019 4/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
HSP90AA1 P07900 1/20 0.38

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
SCHEMBL21945273 0.77 HPGDS (0.56) HPGDSMGAMHCAR3
SCHEMBL2882996 0.75 HTT (0.46) HPGDSNPC1RAB9AKDM4EL3MBTL1
SCHEMBL1644720 0.75 POLB (0.48) TDP1HPGDSNPC1RAB9AKDM4E
SCHEMBL23559590 0.74 TDP1 (0.50) TDP1MGAMNPC1RAB9AKDM4E
SCHEMBL3566203 0.74 TDP1 (0.54) TDP1MGAMNPC1RAB9AKDM4E
SCHEMBL1714095 0.73 HCAR3 (0.46) TDP1KDM4EL3MBTL1HSD17B10HCAR3
SCHEMBL30886215 0.72 GRM1 (0.42) TDP1NPC1RAB9AKDM4EHKDC1
SCHEMBL22672456 0.71 TDP1 (0.46) TDP1MGAMNPC1RAB9AKDM4E
SCHEMBL20589355 0.71 HPGDS (0.58) HPGDSMGAMHCAR3
SCHEMBL10465639 0.70 MGAM (0.70) TDP1MGAMNPC1RAB9AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7666873-B2 N-phenyl-(2R,5S)dimethylpiperazine derivative ASTELLAS PHARMA INC. (JP) 2010-02-23 US disclosed
US-20080214543-A1 N-Phenyl-(2R,5S)Dimethylpiperazine Derivative ASTELLAS PHARMA INC. (JP) 2008-09-04 US disclosed
US-7297698-B2 N-phenyl-(2R,5S) dimethylpiperazine derivative ASTELLAS PHARMA INC. (JP) 2007-11-20 US disclosed
US-20050261303-A1 N-phenyl-(2r,5s) dimethylpiperadine derivative ASTELLAS PHARMA INC. (JP) 2005-11-24 US disclosed
EP-1557411-A1 N-PHENYL-(2R,5S)DIMETHYLPIPERADINE DERIVATIVE YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 2005-07-27 EP 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-20050261303-A1 N-phenyl-(2r,5s) dimethylpiperadine derivative BPHL, QDPR, SRD5A2 TDP1 3728/4885HPGDS 500/4885MGAM 3902/4885
US-20080214543-A1 N-Phenyl-(2R,5S)Dimethylpiperazine Derivative BPHL, AR, SRD5A2 TDP1 3563/4885HPGDS 280/4885MGAM 3330/4885

“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.