SCHEMBL3556337

SCHEMBL3556337

CCCN(C1CCN(CCN)CC1)S(=O)(=O)c1ccc(F)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 10/20 0.49
HTR2C P28335 3/20 0.49
DRD2 P14416 7/20 0.48
HTR1A P08908 6/20 0.48
HTR7 P34969 6/20 0.48
CACNA1B Q00975 1/20 0.47
CACNA1C Q13936 1/20 0.47
ALDH1A1 P00352 3/20 0.44
USP2 O75604 1/20 0.44
ALOX15 P16050 1/20 0.44
RORC P51449 1/20 0.41
KCNH2 Q12809 1/20 0.41
MEN1 O00255 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
KMT2A Q03164 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
GAA P10253 1/20 0.40
TSHR P16473 1/20 0.40

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
SCHEMBL4017004 0.91 HTR2A (0.51) HTR2AHTR2CDRD2HTR1AHTR7
SCHEMBL3942876 0.86 HTR2A (0.51) HTR2AHTR2CDRD2HTR7CACNA1B
SCHEMBL3941201 0.79 TSHR (0.48) HTR2AHTR2CDRD2HTR1AHTR7
SCHEMBL3561127 0.78 SLC6A2 (0.57) HTR2AHTR2CALDH1A1USP2ALOX15
SCHEMBL3568841 0.77 HTR2A (0.53) HTR2AHTR2CDRD2HTR7ALDH1A1
SCHEMBL3564522 0.75 CCR3 (0.45) HTR2ACACNA1BCACNA1CALDH1A1ALOX15
SCHEMBL3562416 0.72 CCR3 (0.42) HTR2ACACNA1BCACNA1CALDH1A1ALOX15
SCHEMBL4876820 0.71 MEN1 (0.48) HTR2AHTR2CMEN1KMT2A
SCHEMBL14045161 0.70 HTR1A (0.40) HTR2AHTR2CDRD2HTR1AHTR7
SCHEMBL14997371 0.70 CACNA1B (0.83) HTR2AHTR2CDRD2HTR1AHTR7

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-7750161-B2 Pyridine derivatives ACTELION PHARMACEUTICALS, LTD. (CH) 2010-07-06 US disclosed
EP-1670470-B1 PYRIDINE DERIVATIVES AND USE THEREOF AS UROTENSIN II ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2009-04-08 EP disclosed
US-20070043081-A1 Novel pyridine derivatives ACTELION PHARMACEUTICALS, LTD. (CH) 2007-02-22 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-20070043081-A1 Novel pyridine derivatives P2RY4, P2RX6, P2RX4 HTR2A 119/4885HTR2C 92/4885DRD2 124/4885

“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.