SCHEMBL5487731

SCHEMBL5487731

CNC(=O)C1(c2cccc(OC)c2)CCN(c2ncccn2)CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.53
HPGD P15428 2/20 0.53
NPC1 O15118 1/20 0.52
MAPT P10636 1/20 0.52
KDM4E B2RXH2 6/20 0.51
TSHR P16473 2/20 0.51
MEN1 O00255 1/20 0.51
TP53 P04637 1/20 0.51
KMT2A Q03164 1/20 0.51
CYP3A4 P08684 3/20 0.48
USP2 O75604 1/20 0.48
CYP2D6 P10635 1/20 0.48
HTT P42858 1/20 0.47
GAA P10253 1/20 0.46
OPRD1 P41143 1/20 0.45
KCNH2 Q12809 1/20 0.45
NPSR1 Q6W5P4 1/20 0.44
DRD2 P14416 1/20 0.43
DRD4 P21917 1/20 0.43
DRD3 P35462 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
SCHEMBL4873649 0.90 ALDH1A1 (0.56) ALDH1A1HPGDNPC1MAPTKDM4E
SCHEMBL4877181 0.87 ALDH1A1 (0.56) ALDH1A1HPGDNPC1MAPTKDM4E
SCHEMBL4876692 0.87 ALDH1A1 (0.49) ALDH1A1HPGDNPC1MAPTKDM4E
Hydrochloric Acid SCHEMBL5488843 0.87 ALDH1A1 (0.49) ALDH1A1HPGDNPC1MAPTKDM4E
SCHEMBL4868393 0.86 ALDH1A1 (0.48) ALDH1A1HPGDNPC1MAPTKDM4E
SCHEMBL4876628 0.86 ALDH1A1 (0.47) ALDH1A1HPGDNPC1MAPTKDM4E
SCHEMBL4876648 0.86 ALDH1A1 (0.47) ALDH1A1HPGDNPC1MAPTKDM4E
Hydrochloric Acid SCHEMBL4879160 0.85 ALDH1A1 (0.57) ALDH1A1HPGDNPC1MAPTKDM4E
SCHEMBL5482986 0.85 KDM4E (0.48) ALDH1A1HPGDNPC1MAPTKDM4E
SCHEMBL5480149 0.85 ALDH1A1 (0.47) ALDH1A1HPGDNPC1MAPTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070078120-A1 Novel piperidine derivative DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2007-04-05 US disclosed
EP-1679069-A1 NOVEL PIPERIDINE DERIVATIVE Dainippon Sumitomo Pharma Co., Ltd. (JP) 2006-07-12 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 (1 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-20070078120-A1 Novel piperidine derivative LDLR, PRMT5, MSR1 ALDH1A1 2990/4885HPGD 2694/4885NPC1 12/4885

“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.