SCHEMBL5482986

SCHEMBL5482986

COc1cccc(C2(C(=O)Nc3cc(C(C)(C)C)cc(C(C)(C)C)c3)CCN(c3ncccn3)CC2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.48
TSHR P16473 2/20 0.48
MEN1 O00255 1/20 0.48
TP53 P04637 1/20 0.48
KMT2A Q03164 1/20 0.48
ALDH1A1 P00352 2/20 0.45
HPGD P15428 2/20 0.45
NPC1 O15118 2/20 0.44
MAPT P10636 2/20 0.44
CYP3A4 P08684 2/20 0.42
USP2 O75604 1/20 0.42
CYP2D6 P10635 1/20 0.42
ELOVL1 Q9BW60 1/20 0.42
HTT P42858 2/20 0.41
NPSR1 Q6W5P4 1/20 0.41
TRPV1 Q8NER1 1/20 0.40
GAA P10253 1/20 0.40
OPRD1 P41143 1/20 0.40
KCNH2 Q12809 1/20 0.40
LMNA P02545 2/20 0.39

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
SCHEMBL5487731 0.85 ALDH1A1 (0.53) KDM4ETSHRMEN1TP53KMT2A
Hydrochloric Acid SCHEMBL5492877 0.83 GRIN2B (0.51) KDM4ETSHRMEN1TP53KMT2A
SCHEMBL4873649 0.82 ALDH1A1 (0.56) KDM4ETSHRMEN1TP53KMT2A
SCHEMBL5481635 0.82 MAPT (0.51) KDM4ETSHRMEN1TP53KMT2A
Hydrochloric Acid SCHEMBL5489145 0.81 MEN1 (0.51) KDM4ETSHRMEN1TP53KMT2A
SCHEMBL4877181 0.80 ALDH1A1 (0.56) KDM4ETSHRMEN1TP53KMT2A
SCHEMBL4876692 0.80 ALDH1A1 (0.49) KDM4ETSHRMEN1TP53KMT2A
Hydrochloric Acid SCHEMBL5488843 0.80 ALDH1A1 (0.49) KDM4ETSHRMEN1TP53KMT2A
SCHEMBL4868393 0.79 ALDH1A1 (0.48) KDM4ETSHRMEN1TP53KMT2A
SCHEMBL5483729 0.79 P2RX7 (0.52) KDM4ETSHRMEN1TP53KMT2A

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 KDM4E 728/4885TSHR 836/4885MEN1 3200/4885

“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.