SCHEMBL6009845

SCHEMBL6009845

CC(NCCCS(=O)(=O)O)c1cccc(C(F)(F)F)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2C P18825 3/20 0.43
SLC6A4 P31645 3/20 0.43
DRD3 P35462 3/20 0.43
SLC6A2 P23975 2/20 0.43
HTR2C P28335 2/20 0.43
OPRM1 P35372 2/20 0.43
CASR P41180 2/20 0.43
CYP2D6 P10635 2/20 0.43
HTT P42858 2/20 0.43
MLNR O43193 1/20 0.43
ABCB11 O95342 1/20 0.43
ADRB1 P08588 1/20 0.43
ADORA3 P0DMS8 1/20 0.43
CHRM1 P11229 1/20 0.43
DRD2 P14416 1/20 0.43
CHRM3 P20309 1/20 0.43
GLRA1 P23415 1/20 0.43
AVPR2 P30518 1/20 0.43
HRH1 P35367 1/20 0.43
MC3R P41968 1/20 0.43

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
SCHEMBL6009058 0.84 CA1 (0.40) GPR139CA1CA2
SCHEMBL6008663 0.83 DUT (0.41) CASRHTR6GPR139KMT2AALDH1A1
SCHEMBL10278359 0.80 TP53BP1 (0.42) ADRB1CYP1A2CYP3A4PNMTL3MBTL1
SCHEMBL10231050 0.80 CYP3A4 (0.53) SLC6A4DRD3SLC6A2OPRM1CASR
SCHEMBL10231054 0.80 CYP3A4 (0.53) SLC6A4DRD3SLC6A2OPRM1CASR
SCHEMBL14099965 0.80 CYP3A4 (0.53) SLC6A4DRD3SLC6A2OPRM1CASR
SCHEMBL353007 0.79 CASR (0.57) ADRA2CDRD3SLC6A2HTR2COPRM1
SCHEMBL353006 0.79 CASR (0.57) ADRA2CDRD3SLC6A2HTR2COPRM1
SCHEMBL10278322 0.78 TP53BP1 (0.41) SLC6A4SLC6A2HTTCYP1A2CYP3A4
Hydrochloric Acid SCHEMBL10583669 0.77 ADRA2C (0.48) ADRA2CSLC6A4DRD3SLC6A2HTR2C

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-20060183800-A1 Methods and fluorinated compositions for treating amyloid-related diseases BELLUS HEALTH (INTERNATIONAL) LIMITED (CH) 2006-08-17 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-20060183800-A1 Methods and fluorinated compositions for treating amyloid-related diseases APP, PSEN1, TTR ADRA2C 480/4885SLC6A4 1538/4885DRD3 3857/4885

“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.