SCHEMBL17277488

SCHEMBL17277488

Cc1cccc(S(=O)(=O)N(CCN2CCCC2)C2CCNCC2)c1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.49
HTR2C P28335 1/20 0.49
SLC6A2 P23975 5/20 0.48
SLC6A4 P31645 5/20 0.48
KCNH2 Q12809 3/20 0.48
SLC6A3 Q01959 3/20 0.48
DRD2 P14416 3/20 0.47
DRD3 P35462 3/20 0.47
HTR1D P28221 2/20 0.47
HTR7 P34969 2/20 0.47
RORC P51449 1/20 0.43
HTR1A P08908 1/20 0.42
HTR1B P28222 1/20 0.42
HTR6 P50406 1/20 0.40
HRH3 Q9Y5N1 1/20 0.40
CACNA1B Q00975 1/20 0.39
CACNA1C Q13936 1/20 0.39
CCR5 P51681 1/20 0.38
SIGMAR1 Q99720 3/20 0.37

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
SCHEMBL17277400 0.99 HTR2A (0.48) HTR2AHTR2CSLC6A2SLC6A4KCNH2
SCHEMBL17277564 0.93 SLC6A2 (0.51) HTR2AHTR2CSLC6A2SLC6A4KCNH2
SCHEMBL17277595 0.87 SLC6A2 (0.49) HTR2AHTR2CSLC6A2SLC6A4KCNH2
SCHEMBL12062163 0.86 PSEN1 (0.48) HTR2AHTR2CSLC6A2SLC6A4KCNH2
SCHEMBL12075657 0.86 SLC6A2 (0.48) HTR2AHTR2CSLC6A2SLC6A4KCNH2
SCHEMBL3856135 0.86 SLC6A2 (0.48) HTR2AHTR2CSLC6A2SLC6A4KCNH2
SCHEMBL17277329 0.86 SLC6A2 (0.49) HTR2AHTR2CSLC6A2SLC6A4KCNH2
SCHEMBL12062064 0.85 PSEN1 (0.47) HTR2AHTR2CSLC6A2SLC6A4KCNH2
SCHEMBL17277451 0.81 SLC6A2 (0.48) HTR2AHTR2CSLC6A2SLC6A4KCNH2
SCHEMBL17277482 0.81 SLC6A2 (0.52) HTR2ASLC6A2SLC6A4KCNH2SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160031893-A1 ANTIMICROBIAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME BioVersys AG (CH) 2016-02-04 US disclosed
US-9193731-B2 Antimicrobial compounds and methods of making and using the same MELINTA THERAPEUTICS, INC. (US) 2015-11-24 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-20160031893-A1 ANTIMICROBIAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME MPO, LPO, CAT HTR2A 4773/4885HTR2C 4749/4885SLC6A2 3776/4885

“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.