SCHEMBL3559638

SCHEMBL3559638

Nc1ccc2nc(N3CCOCC3)cnc2c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.51
GAA P10253 4/20 0.51
SMN1; SMN2 Q16637 4/20 0.51
NPC1 O15118 4/20 0.51
RAB9A P51151 4/20 0.51
HCAR2 Q8TDS4 1/20 0.49
PIK3CA P42336 4/20 0.49
HRH4 Q9H3N8 3/20 0.48
HTT P42858 2/20 0.47
ALDH1A1 P00352 2/20 0.47
HPGD P15428 2/20 0.47
NFKB1 P19838 1/20 0.47
NFKB2 Q00653 1/20 0.47
RELA Q04206 1/20 0.47
PIK3R1 P27986 1/20 0.46
MTOR P42345 1/20 0.46
TLR9 Q9NR96 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
HTR3A P46098 1/20 0.43

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
SCHEMBL1441997 0.83 PIK3CA (0.51) MAPTGAASMN1; SMN2NPC1RAB9A
SCHEMBL21865079 0.82 SMN1; SMN2 (0.49) MAPTGAASMN1; SMN2NPC1RAB9A
SCHEMBL29190695 0.82 HRH4 (0.70) MAPTGAASMN1; SMN2NPC1RAB9A
SCHEMBL21865082 0.82 GAA (0.59) MAPTGAASMN1; SMN2NPC1RAB9A
SCHEMBL13503311 0.82 HRH4 (0.51) MAPTGAASMN1; SMN2NPC1RAB9A
SCHEMBL15140966 0.80 PIK3CA (0.47) MAPTGAASMN1; SMN2NPC1RAB9A
SCHEMBL24830044 0.80 NPC1 (0.71) MAPTGAASMN1; SMN2NPC1RAB9A
SCHEMBL29832726 0.80 NPC1 (0.71) MAPTGAASMN1; SMN2NPC1RAB9A
SCHEMBL31184229 0.80 NPC1 (0.71) MAPTGAASMN1; SMN2NPC1RAB9A
SCHEMBL3559695 0.79 GAA (0.54) MAPTGAASMN1; SMN2NPC1RAB9A

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 MAPT 4453/4885GAA 4595/4885SMN1; SMN2 4743/4885
US-20080214543-A1 N-Phenyl-(2R,5S)Dimethylpiperazine Derivative BPHL, AR, SRD5A2 MAPT 4272/4885GAA 4303/4885SMN1; SMN2 4798/4885

“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.