SCHEMBL3209934

SCHEMBL3209934

NCCc1cn(S(=O)(=O)c2cccc3c2CCO3)c2ccc(Cl)nc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 18/20 0.38
HTR2C P28335 3/20 0.35
HTR1D P28221 2/20 0.35
HTR2A P28223 2/20 0.35
HTR1A P08908 1/20 0.35
HTR7 P34969 2/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2A6 P11509 1/20 0.34
HTR2B P41595 1/20 0.34
ADRB2 P07550 1/20 0.32
CHRM2 P08172 1/20 0.32
ADRA2A P08913 1/20 0.32
S1PR1 P21453 1/20 0.32
C5AR1 P21730 1/20 0.32
SLC6A2 P23975 1/20 0.32
FPR3 P25089 1/20 0.32
HTR1B P28222 1/20 0.32
GPR183 P32249 1/20 0.32
ADRA1A P35348 1/20 0.32
HRH1 P35367 1/20 0.32

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
SCHEMBL3203444 0.85 HTR6 (0.42) HTR6HTR2CHTR1DHTR2AHTR1A
SCHEMBL3203402 0.79 PPARG (0.47) HTR6
SCHEMBL3202419 0.75 HTR6 (0.60) HTR6HTR2CHTR1DHTR2AHTR1A
SCHEMBL3216711 0.73 HTR6 (0.41) HTR6HTR2CHTR1DHTR1AHTR7
SCHEMBL3212937 0.73 HTR6 (0.41) HTR6HTR2AHTR1AHTR7CYP3A4
SCHEMBL3205628 0.72 HTR6 (0.44) HTR6HTR2AHTR1AHTR7
SCHEMBL3215153 0.72 HTR6 (0.52) HTR6HTR1DHTR2AHTR1AHTR7
SCHEMBL3201767 0.71 HTR6 (0.59) HTR6CYP3A4
SCHEMBL3201042 0.71 HTR6 (0.50) HTR6HTR2CHTR7CYP3A4CYP2A6
SCHEMBL3216028 0.69 HTR6 (0.42) HTR6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100029629-A1 ACYCLIC COMPOUNDS HAVING 5-HT6 RECEPTOR AFFINITY MEMORY PHARMACEUTICALS CORPORATION (US) 2010-02-04 US claimed
WO-2010011546-A2 ACYCLIC COMPOUNDS HAVING 5-HT6 RECEPTOR AFFINITY MEMORY PHARMACEUTICALS CORPORATION (US) 2010-01-28 WO claimed
US-20100029629-A1 ACYCLIC COMPOUNDS HAVING 5-HT6 RECEPTOR AFFINITY MEMORY PHARMACEUTICALS CORPORATION (US) 2010-02-04 US disclosed
US-20100029629-A1 ACYCLIC COMPOUNDS HAVING 5-HT6 RECEPTOR AFFINITY MEMORY PHARMACEUTICALS CORPORATION (US) 2010-02-04 US disclosed
US-20100029629-A1 ACYCLIC COMPOUNDS HAVING 5-HT6 RECEPTOR AFFINITY MEMORY PHARMACEUTICALS CORPORATION (US) 2010-02-04 US disclosed
WO-2010011546-A2 ACYCLIC COMPOUNDS HAVING 5-HT6 RECEPTOR AFFINITY MEMORY PHARMACEUTICALS CORPORATION (US) 2010-01-28 WO disclosed
WO-2010011546-A2 ACYCLIC COMPOUNDS HAVING 5-HT6 RECEPTOR AFFINITY MEMORY PHARMACEUTICALS CORPORATION (US) 2010-01-28 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-20100029629-A1 ACYCLIC COMPOUNDS HAVING 5-HT6 RECEPTOR AFFINITY HTR6, HTR1A, HTR5A HTR6 1/4885HTR2C 7/4885HTR1D 15/4885

“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.