SCHEMBL6364922

SCHEMBL6364922

O=CN1CCN(c2ccc3cc(I)ccc3n2)CC1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 4/20 0.46
HRH4 Q9H3N8 2/20 0.46
HRH3 Q9Y5N1 9/20 0.43
ALDH1A1 P00352 4/20 0.43
HTR3E A5X5Y0 3/20 0.43
KDM4E B2RXH2 3/20 0.43
HTR3B O95264 3/20 0.43
CYP1A2 P05177 3/20 0.43
HTR3D Q70Z44 3/20 0.43
HTR3C Q8WXA8 3/20 0.43
THPO P40225 2/20 0.43
RXFP1 Q9HBX9 1/20 0.42
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
CYP3A4 P08684 2/20 0.41
SLC6A4 P31645 2/20 0.41
CYP2C19 P33261 1/20 0.41
USP2 O75604 1/20 0.40
ADRB1 P08588 1/20 0.40
HTR1A P08908 1/20 0.40

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
SCHEMBL5912628 0.83 HRH3 (0.49) HTR3AHRH4HRH3ALDH1A1HTR3E
SCHEMBL6365080 0.83 HTR3A (0.46) HTR3AHRH4HRH3ALDH1A1HTR3E
SCHEMBL6371066 0.83 HTR3A (0.68) HTR3AHRH4HRH3ALDH1A1HTR3E
SCHEMBL4538081 0.82 HTR3A (0.49) HTR3AHRH4HRH3ALDH1A1HTR3E
SCHEMBL27722989 0.80 KDM4E (0.66) HTR3AHRH4HRH3ALDH1A1HTR3E
SCHEMBL6364907 0.78 HTR3A (0.62) HTR3AHRH4ALDH1A1HTR3EKDM4E
SCHEMBL23273738 0.70 HTR3A (0.47) HTR3AHRH4HRH3ALDH1A1HTR3E
SCHEMBL30057569 0.70 HTR3A (0.47) HTR3AHRH4HRH3ALDH1A1HTR3E
SCHEMBL20651307 0.70 HRH3 (0.43) HTR3AHRH4HRH3ALDH1A1HTR3E
SCHEMBL27108980 0.69 HTR3A (0.63) HTR3AHRH4HRH3ALDH1A1HTR3E

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-20050165006-A1 Quinoline derivatives, their preparation and pharmaceutical compositions comprising the same HYUNDAI PHARM. IND. CO., LTD. (KR) 2005-07-28 US disclosed
WO-2003082286-A1 QUINOLINE DERIVATIVES, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME CHEMON INC. (KR) 2003-10-09 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-20050165006-A1 Quinoline derivatives, their preparation and pharmaceutical compositions comprising the same SLC18A2, SLC6A4, SLC6A2 HTR3A 35/4885HRH4 590/4885HRH3 583/4885

“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.