SCHEMBL6329923

SCHEMBL6329923

O=C1CCc2cc(OCCCN3CCCCC3)ccc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 11/20 1.00
HTR1A P08908 1/20 0.67
DRD4 P21917 1/20 0.67
HTR2A P28223 1/20 0.67
HTR2C P28335 1/20 0.67
HTR7 P34969 1/20 0.67
DRD3 P35462 1/20 0.67
MAOB P27338 2/20 0.62
MAOA P21397 1/20 0.62
HRH1 P35367 1/20 0.61

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
SCHEMBL14287615 0.93 HRH3 (0.88) HRH3HTR1ADRD4HTR2AHTR2C
SCHEMBL14287616 0.86 HRH3 (0.87) HRH3MAOBMAOA
SCHEMBL1795697 0.85 HRH3 (0.73) HRH3HRH1
SCHEMBL1795300 0.85 HRH3 (0.73) HRH3DRD3HRH1
SCHEMBL5100387 0.84 HRH3 (0.72) HRH3MAOBMAOAHRH1
Hydrochloric Acid SCHEMBL11564113 0.83 HRH3 (0.71) HRH3HRH1
SCHEMBL1795522 0.83 HRH3 (0.71) HRH3MAOBMAOAHRH1
SCHEMBL1794444 0.83 HRH3 (0.71) HRH3HRH1
SCHEMBL1793430 0.83 HRH3 (0.71) HRH3DRD3
SCHEMBL1796426 0.83 HRH3 (0.71) HRH3

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050209274-A1 Antagonists of melanin concentrating hormone effects on the melanin concentrating hormone receptor ABOTT LABORATORIES 2005-09-22 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-20050209274-A1 Antagonists of melanin concentrating hormone effects on the melanin concentrating hormone receptor MCHR1, MCHR2, MC1R HRH3 199/4885HTR1A 67/4885DRD4 397/4885

“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.