SCHEMBL6791079

SCHEMBL6791079

CC(=O)N1CCC(c2ccc3c(c2OCC(C)C)CCCC3)CC1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.37
BRD4 O60885 1/20 0.37
ALDH1A1 P00352 1/20 0.37
POLB P06746 1/20 0.37
CREBBP Q92793 1/20 0.37
TRPC6 Q9Y210 1/20 0.36
ACACB O00763 2/20 0.36
MCHR1 Q99705 2/20 0.36
QDPR P09417 2/20 0.35
PDE4B Q07343 1/20 0.35
PDE7A Q13946 1/20 0.35
RORC P51449 1/20 0.35
MTNR1B P49286 1/20 0.34
F10 P00742 1/20 0.34
OPRL1 P41146 1/20 0.34
LMNA P02545 1/20 0.34
TP53 P04637 1/20 0.34
MAPT P10636 1/20 0.34

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 0.86 F10 (0.43) KDM4EBRD4ALDH1A1POLBCREBBP
SCHEMBL6788726 0.84 QDPR (0.43) KDM4EBRD4ALDH1A1POLBCREBBP
SCHEMBL5899901 0.83 ENPP2 (0.46) KDM4EBRD4ALDH1A1POLBCREBBP
SCHEMBL6790396 0.82 DRD2 (0.39) ALDH1A1POLBACACBMCHR1LMNA
SCHEMBL6794310 0.79 SLC6A2 (0.38)
SCHEMBL5900137 0.79 MEN1 (0.39) KDM4EBRD4ALDH1A1POLBCREBBP
SCHEMBL6796355 0.78 SLC6A4 (0.39)
SCHEMBL5899937 0.78 QDPR (0.45) KDM4EBRD4ALDH1A1POLBCREBBP
SCHEMBL6784310 0.75 HTR1A (0.45)
SCHEMBL6988778 0.71 P2RY14 (0.40) MCHR1

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 KDM4E 1640/4885BRD4 664/4885ALDH1A1 1002/4885

“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.