SCHEMBL3568841

SCHEMBL3568841

CCN(C1CCN(CCN)CC1)S(=O)(=O)c1ccc(OC)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 4/20 0.53
HTR2C P28335 4/20 0.53
ALDH1A1 P00352 3/20 0.53
GAA P10253 2/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
CNR1 P21554 1/20 0.49
CNR2 P34972 1/20 0.49
TSHR P16473 5/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
HTT P42858 2/20 0.46
ATM Q13315 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
CCR5 P51681 2/20 0.45
MEN1 O00255 1/20 0.45
LMNA P02545 1/20 0.45
MAPT P10636 1/20 0.45
KMT2A Q03164 1/20 0.45
NPSR1 Q6W5P4 1/20 0.44
RORC P51449 1/20 0.43
HTR7 P34969 2/20 0.42

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
SCHEMBL3942876 0.91 HTR2A (0.51) HTR2AHTR2CALDH1A1GAAL3MBTL1
SCHEMBL3941201 0.86 TSHR (0.48) HTR2AHTR2CALDH1A1GAAL3MBTL1
SCHEMBL4017004 0.86 HTR2A (0.51) HTR2AHTR2CALDH1A1GAATSHR
SCHEMBL3559225 0.79 DRD2 (0.47) HTR2AHTR2CALDH1A1GAAL3MBTL1
SCHEMBL3557754 0.78 SLC6A2 (0.56) HTR2AHTR2CALDH1A1GAAL3MBTL1
SCHEMBL3556337 0.77 HTR2A (0.49) HTR2AHTR2CALDH1A1GAATSHR
SCHEMBL3555527 0.76 STS (0.60) ALDH1A1BACE1MMP3
SCHEMBL3560963 0.75 NAMPT (0.46) HTR2AHTR2CALDH1A1GAAL3MBTL1
SCHEMBL3558596 0.75 RXFP1 (0.47) HTR2AHTR2CALDH1A1GAAL3MBTL1
SCHEMBL19558635 0.74 ALDH1A1 (0.49) HTR2AHTR2CALDH1A1GAAL3MBTL1

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 8 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
US-7750161-B2 Pyridine derivatives ACTELION PHARMACEUTICALS, LTD. (CH) 2010-07-06 US disclosed
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
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
US-20070043081-A1 Novel pyridine derivatives ACTELION PHARMACEUTICALS, LTD. (CH) 2007-02-22 US 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 92/4885ALDH1A1 2078/4885

“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.