SCHEMBL4801586

SCHEMBL4801586

CC1CN(c2ccc(Cl)c(N)c2)CC(C)N1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.46
GHSR Q92847 10/20 0.46
PTPN11 Q06124 3/20 0.45
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
ALOX12 P18054 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
SCN9A Q15858 1/20 0.38
LCK P06239 1/20 0.38
BCL2A1 Q16548 2/20 0.38

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
SCHEMBL4801584 1.00 HTT (0.46) HTTGHSRPTPN11MEN1KMT2A
SCHEMBL14163169 0.85 GHSR (0.41) HTTGHSRPTPN11MAPT
SCHEMBL4933532 0.85 GHSR (0.54) HTTGHSRPTPN11LMNAMAPT
SCHEMBL4933529 0.85 GHSR (0.54) HTTGHSRPTPN11LMNAMAPT
SCHEMBL4216169 0.81 HTT (0.46) HTTGHSRPTPN11LCKBCL2A1
SCHEMBL4802118 0.81 GHSR (0.47) GHSR
SCHEMBL4216171 0.81 HTT (0.46) HTTGHSRPTPN11LCKBCL2A1
SCHEMBL4802129 0.81 GHSR (0.47) GHSR
Hydrochloric Acid SCHEMBL4219984 0.79 HTT (0.45) HTTGHSRPTPN11KMT2ALCK
Hydrochloric Acid SCHEMBL4219981 0.79 HTT (0.45) HTTGHSRPTPN11KMT2ALCK

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-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
CN-101031564-A Piperazine derivatives for the treatment of gastrointestinal disorders GLAXO GROUP LTD (GB) 2007-09-05 CN 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 1562/4885GHSR 1/4885PTPN11 1137/4885

“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.