SCHEMBL2906599

SCHEMBL2906599

NC1CCS(O)(O)c2ccccc21

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 4/20 0.33
SLC6A3 Q01959 4/20 0.33
SLC6A4 P31645 2/20 0.33
HTR2A P28223 1/20 0.32
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL13499160 0.77 CA2 (0.41) SLC6A2SLC6A3SLC6A4HTR2A
SCHEMBL2906600 0.77 CA2 (0.41) SLC6A2SLC6A3SLC6A4HTR2A
Hydrochloric Acid SCHEMBL1002826 0.76 CA2 (0.42)
SCHEMBL14275866 0.70 ADRA1D (0.34) SLC6A2SLC6A3SLC6A4
SCHEMBL6924410 0.69 SLC6A2 (0.52) SLC6A2SLC6A3SLC6A4HTR2A
SCHEMBL6223726 0.67 ESR2 (0.34) MEN1KMT2A
SCHEMBL4053422 0.66 HAO1 (0.39) MEN1KMT2A
SCHEMBL10192537 0.64 SLC6A2 (0.38) SLC6A2SLC6A3SLC6A4HTR2A
Hydrochloric Acid SCHEMBL30989920 0.63 SLC6A2 (0.37) SLC6A2SLC6A4HTR2A
Hydrochloric Acid SCHEMBL30989811 0.63 SLC6A2 (0.37) SLC6A2SLC6A4HTR2A

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-7825253-B2 2-aminoquinoline derivatives HOFFMANN-LA ROCHE INC. (US) 2010-11-02 US disclosed
EP-2076495-B1 QUINOLINE DERIVATIVES WITH 5-HT-BINDING PROPERTIES HOFFMANN LA ROCHE (CH) 2010-08-18 EP disclosed
US-20080081907-A1 2-AMINOQUINOLINE DERIVATIVES HOFFMANN-LA ROCHE INC. 2008-04-03 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-20080081907-A1 2-AMINOQUINOLINE DERIVATIVES AR, ADRA2C, RCC2 SLC6A2 449/4885SLC6A3 1427/4885SLC6A4 1107/4885

“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.