SCHEMBL4484046

SCHEMBL4484046

CS(=O)(=O)Nc1cccc(N2CCNCC2)c1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 5/20 0.69
CYP1A2 P05177 3/20 0.54
ADRB1 P08588 3/20 0.54
HTR1A P08908 3/20 0.54
CYP3A4 P08684 2/20 0.54
CYP2D6 P10635 2/20 0.54
HTR7 P34969 2/20 0.54
HTR3E A5X5Y0 1/20 0.54
HTR3B O95264 1/20 0.54
TP53 P04637 1/20 0.54
THRB P10828 1/20 0.54
CYP2C9 P11712 1/20 0.54
HTR2A P28223 1/20 0.54
HTR2C P28335 1/20 0.54
SLC6A4 P31645 1/20 0.54
CYP2C19 P33261 1/20 0.54
HTR2B P41595 1/20 0.54
HTT P42858 1/20 0.54
HTR3A P46098 1/20 0.54
HTR3D Q70Z44 1/20 0.54

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
SCHEMBL16827641 0.85 HTR6 (0.64) HTR6CYP1A2ADRB1HTR1ACYP3A4
SCHEMBL18230177 0.84 HTR7 (0.63) HTR6CYP1A2HTR1ACYP3A4CYP2D6
Hydrochloric Acid SCHEMBL16827681 0.83 HTR6 (0.63) HTR6CYP1A2ADRB1HTR1ACYP3A4
SCHEMBL30633564 0.82 LMNA (0.54) HTR6CYP1A2HTR1ACYP3A4HTR7
SCHEMBL20535115 0.82 LMNA (0.54) HTR6CYP1A2HTR1ACYP3A4HTR7
SCHEMBL5851742 0.81 HTR6 (0.64) HTR6ADRB1HTR3EHTR3BHTR3A
Hydrochloric Acid SCHEMBL7001932 0.80 HTR6 (0.62) HTR6ADRB1HTR3EHTR3BHTR3A
SCHEMBL6264215 0.80 ADRB1 (0.62) HTR6CYP1A2ADRB1HTR1ACYP3A4
SCHEMBL28189078 0.79 HTR7 (0.50) HTR6CYP1A2HTR1ACYP3A4HTR7
SCHEMBL8781158 0.79 HTR6 (0.61) HTR6ADRB1HTR3EHTR3BHTR3A

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
EP-2038268-B1 CARBONYLATED (AZA)CYCLOHEXANES AS DOPAMINE D3 RECEPTOR LIGANDS BIOPROJET SOC CIV (FR) 2015-11-04 EP disclosed
US-8802678-B2 Carbonylated (aza) cyclohexanes as dopamine D3 receptor ligands BIOPROJET (FR) 2014-08-12 US disclosed
US-20090286801-A1 CARBONYLATED (AZA) CYCLOHEXANES AS DOPAMINE D3 RECEPTOR LIGANDS BIOPROJET (FR) 2009-11-19 US disclosed
EP-1870405-A1 Carbonylated (Aza)cyclohexanes as dopamine D3 receptor ligands BIOPROJET (FR) 2007-12-26 EP 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-20090286801-A1 CARBONYLATED (AZA) CYCLOHEXANES AS DOPAMINE D3 RECEPTOR LIGANDS DRD3, TACR2, TACR1 HTR6 223/4885CYP1A2 392/4885ADRB1 46/4885

“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.