SCHEMBL4805065

SCHEMBL4805065

CC(=O)c1ccc(Cl)cc1N1CC(C)NC(C)C1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.45
HTR6 P50406 1/20 0.40
MYC P01106 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
NOTUM Q6P988 3/20 0.38
XIAP P98170 2/20 0.38
BIRC2 Q13490 2/20 0.38
SMO Q99835 1/20 0.37
DRD4 P21917 1/20 0.37
GHSR Q92847 2/20 0.37
PTPN11 Q06124 1/20 0.36
HCRTR1 O43613 1/20 0.36
HCRTR2 O43614 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
SCHEMBL4805051 1.00 HTT (0.45) HTTHTR6MYCL3MBTL1NOTUM
SCHEMBL27698181 0.85 HTT (0.42) HTTHTR6MYCL3MBTL1NOTUM
SCHEMBL13176039 0.80 CCR2 (0.41) MYCNOTUMDRD4HCRTR1HCRTR2
SCHEMBL8259624 0.78 MAPT (0.49) HTTL3MBTL1NOTUMDRD4
SCHEMBL4933476 0.75 HTT (0.51) HTTHTR6L3MBTL1NOTUMDRD4
SCHEMBL4933480 0.75 HTT (0.51) HTTHTR6L3MBTL1NOTUMDRD4
SCHEMBL4799688 0.71 GHSR (0.45) GHSR
SCHEMBL4799698 0.71 GHSR (0.45) GHSR
SCHEMBL16846510 0.68 HCRTR2 (0.50) MYCNOTUMHCRTR1HCRTR2
SCHEMBL4802299 0.68 MAPT (0.49) HTTL3MBTL1GHSR

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-7381728-B2 Piperazine derivatives useful for the treatment of gastrointestinal disorders GLAXO GROUP LIMITED (GB) 2008-06-03 US disclosed
US-20070259877-A1 Piperazine Derivatives Useful for the Treatment of Gastrointestinal Disorders GLAXO GROUP LIMITED 2007-11-08 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-20070259877-A1 Piperazine Derivatives Useful for the Treatment of Gastrointestinal Disorders GHSR, GHRHR, GIPR HTT 1562/4885HTR6 313/4885MYC 2284/4885

“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.