SCHEMBL17448255

SCHEMBL17448255

ClN1CCN(CCc2ccc3ncccc3c2)CC1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.56
KCNH2 Q12809 2/20 0.56
CHKA P35790 2/20 0.55
MET P08581 4/20 0.47
DAO P14920 1/20 0.47
KCNJ1 P48048 1/20 0.47
SLC6A4 P31645 2/20 0.45
SIGMAR1 Q99720 1/20 0.44
HTR1A P08908 2/20 0.43
DRD2 P14416 2/20 0.43
DRD1 P21728 2/20 0.43
HTR2A P28223 2/20 0.43
HTR2C P28335 2/20 0.43
CCR3 P51677 1/20 0.42
HTR3A P46098 1/20 0.42

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
SCHEMBL18906769 0.84 SLC6A4 (0.66) HRH3KCNH2CHKAMETDAO
SCHEMBL18889390 0.83 KCNH2 (0.53) HRH3KCNH2CHKAMETDAO
Hydrochloric Acid SCHEMBL17444676 0.83 SLC6A4 (0.64) HRH3KCNH2CHKAMETDAO
SCHEMBL17444603 0.82 KCNH2 (0.52) HRH3KCNH2CHKAMETHTR1A
SCHEMBL27458564 0.77 HRH3 (0.49) HRH3KCNH2CHKAMETDAO
SCHEMBL17444664 0.76 KCNH2 (0.48) HRH3KCNH2CHKAMET
SCHEMBL13499600 0.75 CHKA (0.90) HRH3KCNH2CHKAMETSLC6A4
SCHEMBL3846360 0.75 DAO (0.54) HRH3KCNH2CHKAMETDAO
SCHEMBL27459776 0.73 HRH3 (0.48) HRH3KCNH2CHKAMETDAO
SCHEMBL4020874 0.73 DAO (0.56) HRH3KCNH2CHKAMETDAO

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-20170152226-A1 FUNCTIONALISED AND SUBSTITUTED INDOLES AS ANTI-CANCER AGENTS Novogen ltd (AU) 2017-06-01 US disclosed
WO-2016008011-A1 FUNCTIONALISED AND SUBSTITUTED INDOLES AS ANTI-CANCER AGENTS Novogen ltd (AU) 2016-01-21 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-20170152226-A1 FUNCTIONALISED AND SUBSTITUTED INDOLES AS ANTI-CANCER AGENTS TPM3, TPM4, TNNI3 HRH3 1845/4885KCNH2 4403/4885CHKA 1161/4885

“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.