SCHEMBL6364907

SCHEMBL6364907

Ic1ccc2nc(N3CCNCC3)ccc2c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 5/20 0.62
HTR3E A5X5Y0 4/20 0.62
HTR3B O95264 4/20 0.62
HTR3D Q70Z44 4/20 0.62
HTR3C Q8WXA8 4/20 0.62
ALDH1A1 P00352 4/20 0.62
CYP3A4 P08684 3/20 0.62
CYP1A2 P05177 2/20 0.62
SLC6A4 P31645 2/20 0.62
PMP22 Q01453 2/20 0.62
KDM4E B2RXH2 2/20 0.62
HSD17B10 Q99714 2/20 0.62
ADRB1 P08588 2/20 0.62
HTR2C P28335 2/20 0.62
USP2 O75604 1/20 0.62
HTR1A P08908 1/20 0.62
MAPK1 P28482 1/20 0.62
HTR7 P34969 1/20 0.62
HTT P42858 1/20 0.62
HTR6 P50406 1/20 0.62

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
SCHEMBL4538081 0.85 HTR3A (0.49) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL5746441 0.81 HTR3A (0.62) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL5912936 0.81 HTR3A (0.62) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL15724675 0.81 HTR3A (0.62) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL4182196 0.81 HTR3A (0.80) HTR3AHTR3EHTR3BHTR3DHTR3C
Hydrochloric Acid SCHEMBL4059444 0.80 HTR3A (0.78) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL5912601 0.79 HRH3 (0.67) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL15707911 0.78 HRH3 (0.66) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL5912588 0.78 HRH3 (0.66) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL6364922 0.78 HTR3A (0.46) HTR3AHTR3EHTR3BHTR3DHTR3C

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 4 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 claimed
WO-2003082286-A1 QUINOLINE DERIVATIVES, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME CHEMON INC. (KR) 2003-10-09 WO claimed
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 35/4885HTR3E 49/4885HTR3B 7/4885

“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.