SCHEMBL5483729

SCHEMBL5483729

COc1cccc(C2(C(=O)Nc3cccc4ncccc34)CCN(c3ncccn3)CC2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 3/20 0.52
RECQL P46063 1/20 0.50
RAB9A P51151 1/20 0.46
KDM4E B2RXH2 4/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
TSHR P16473 3/20 0.46
TP53 P04637 2/20 0.46
SMN1; SMN2 Q16637 4/20 0.45
HSD17B10 Q99714 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
ALDH1A1 P00352 2/20 0.45
HPGD P15428 1/20 0.45
LMNA P02545 2/20 0.44
USP2 O75604 1/20 0.44
MAPK1 P28482 1/20 0.44
MAPT P10636 3/20 0.43
NPC1 O15118 1/20 0.43
NPSR1 Q6W5P4 1/20 0.42
HTT P42858 1/20 0.42

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
Hydrochloric Acid SCHEMBL5481760 0.99 P2RX7 (0.51) P2RX7RECQLRAB9AKDM4EMEN1
SCHEMBL5487731 0.82 ALDH1A1 (0.53) KDM4EMEN1KMT2ATSHRTP53
SCHEMBL4873649 0.81 ALDH1A1 (0.56) RAB9AKDM4EMEN1KMT2ATSHR
Hydrochloric Acid SCHEMBL5492877 0.81 GRIN2B (0.51) RAB9AKDM4EMEN1KMT2ATSHR
SCHEMBL4877181 0.79 ALDH1A1 (0.56) RAB9AKDM4EMEN1KMT2ATSHR
Hydrochloric Acid SCHEMBL5488843 0.79 ALDH1A1 (0.49) KDM4EMEN1KMT2ATSHRTP53
SCHEMBL4876692 0.79 ALDH1A1 (0.49) KDM4EMEN1KMT2ATSHRTP53
SCHEMBL5482986 0.79 KDM4E (0.48) RAB9AKDM4EMEN1KMT2ATSHR
SCHEMBL5480789 0.79 OPRD1 (0.62) KDM4EMEN1KMT2ATSHRTP53
SCHEMBL4868393 0.78 ALDH1A1 (0.48) KDM4EMEN1KMT2ATSHRTP53

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 P2RX7 139/4885RECQL 4170/4885RAB9A 1776/4885

“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.