SCHEMBL6788726

SCHEMBL6788726

COc1c(C2CCN(C(C)=O)CC2)ccc2c1CCCC2

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
QDPR P09417 2/20 0.43
MTNR1B P49286 1/20 0.43
POLB P06746 2/20 0.41
CREBBP Q92793 2/20 0.41
KDM4E B2RXH2 1/20 0.41
BRD4 O60885 1/20 0.41
ALDH1A1 P00352 1/20 0.41
KMT2A Q03164 4/20 0.39
MEN1 O00255 3/20 0.39
PDE4B Q07343 1/20 0.39
NOTUM Q6P988 1/20 0.38
SLC9A1 P19634 3/20 0.37
ADRA1D P25100 1/20 0.37
HTR2A P28223 1/20 0.37
SLC6A3 Q01959 1/20 0.37
SLC9A2 Q9UBY0 1/20 0.37
MCHR1 Q99705 1/20 0.37
USP2 O75604 1/20 0.36
MAPT P10636 1/20 0.36

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
SCHEMBL6712471 0.85 F10 (0.43) POLBCREBBPKDM4EBRD4ALDH1A1
SCHEMBL6791079 0.84 KDM4E (0.37) QDPRMTNR1BPOLBCREBBPKDM4E
SCHEMBL5899937 0.83 QDPR (0.45) QDPRMTNR1BPOLBCREBBPKDM4E
SCHEMBL5899901 0.82 ENPP2 (0.46) POLBCREBBPKDM4EBRD4ALDH1A1
SCHEMBL5937192 0.78 DRD2 (0.42) MCHR1
SCHEMBL5900137 0.78 MEN1 (0.39) MTNR1BPOLBCREBBPKDM4EBRD4
SCHEMBL5937380 0.78 MEN1 (0.38) POLBKMT2AMEN1USP2MAPT
SCHEMBL5937367 0.76 HTR2C (0.45) HTR2ASLC6A3
SCHEMBL38355 0.75 SIGMAR1 (0.40)
SCHEMBL5937197 0.74 SLC6A4 (0.42)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040147557-A1 Aryl piperidine derivatives as inducers of ldl-receptor expression BOUILLOT ANNE (FR) 2004-07-29 US disclosed
EP-1351937-A1 ARYL PIPERIDINE DERIVATIVES AS INDUCERS OF LDL-RECEPTOR EXPRESSION GLAXO GROUP LIMITED (GB) 2003-10-15 EP disclosed
WO-2002055497-A1 ARYL PIPERIDINE DERIVATIVES AS INDUCERS OF LDL-RECEPTOR EXPRESSION GLAXO GROUP LIMITED (GB) 2002-07-18 WO 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-20040147557-A1 Aryl piperidine derivatives as inducers of ldl-receptor expression NR1H2, NR1H3, NR1H4 QDPR 1864/4885MTNR1B 265/4885POLB 2770/4885

“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.