SCHEMBL6794310

SCHEMBL6794310

CC(C)COc1c(C2CCNCC2)ccc2c1CCCC2

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 7/20 0.38
SLC6A4 P31645 7/20 0.38
HTR2C P28335 6/20 0.38
HTR1A P08908 6/20 0.38
SLC6A3 Q01959 6/20 0.38
IKBKB O14920 1/20 0.37
HTR6 P50406 4/20 0.34
FEN1 P39748 1/20 0.33
MLNR O43193 1/20 0.33

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
SCHEMBL6709392 0.82 FEN1 (0.43) SLC6A2SLC6A4HTR2CHTR1ASLC6A3
SCHEMBL5937367 0.81 HTR2C (0.45) SLC6A2SLC6A4HTR2CHTR1ASLC6A3
SCHEMBL6791079 0.79 KDM4E (0.37)
SCHEMBL5899888 0.79 SLC6A2 (0.62) SLC6A2SLC6A4HTR1ASLC6A3HTR6
SCHEMBL6796355 0.77 SLC6A4 (0.39) SLC6A4
SCHEMBL6790396 0.74 DRD2 (0.39)
SCHEMBL5899857 0.74 MEN1 (0.36) SLC6A2SLC6A4HTR2CHTR1ASLC6A3
SCHEMBL6784310 0.72 HTR1A (0.45) HTR1A
SCHEMBL6709364 0.71 HTR2C (0.42) HTR2C
SCHEMBL2608857 0.66 RXRA (0.49)

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 1 patent. 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

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 SLC6A2 2350/4885SLC6A4 969/4885HTR2C 233/4885

“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.