SCHEMBL5384209

SCHEMBL5384209

CS(=O)(=O)OCCCCC1CCN(C(c2ccccc2)c2ccccc2)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 3/20 0.42
CYP3A4 P08684 3/20 0.42
MAOA P21397 1/20 0.42
SCN7A Q01118 1/20 0.41
SCN5A Q14524 1/20 0.41
DPP4 P27487 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
L3MBTL3 Q96JM7 1/20 0.41
KMT2A Q03164 4/20 0.40
MEN1 O00255 3/20 0.40
NPSR1 Q6W5P4 2/20 0.40
LMNA P02545 1/20 0.40
GAA P10253 1/20 0.40
ALDH1A1 P00352 3/20 0.40
MAPT P10636 1/20 0.40
MAPK1 P28482 1/20 0.40
HTT P42858 1/20 0.40
CHRM2 P08172 1/20 0.39
CHRM4 P08173 1/20 0.39
CHRM5 P08912 1/20 0.39

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
SCHEMBL3457628 0.79 L3MBTL3 (0.49) CYP2D6DPP4L3MBTL1L3MBTL3KMT2A
SCHEMBL13597027 0.79 DPP4 (0.58) CYP2D6DPP4L3MBTL1L3MBTL3KMT2A
SCHEMBL3459065 0.78 L3MBTL3 (0.48) CYP2D6DPP4L3MBTL1L3MBTL3KMT2A
SCHEMBL13597030 0.78 DPP4 (0.56) CYP2D6DPP4L3MBTL1L3MBTL3KMT2A
SCHEMBL13597034 0.78 DPP4 (0.56) CYP2D6DPP4L3MBTL1L3MBTL3KMT2A
SCHEMBL13597035 0.78 DPP4 (0.56) CYP2D6DPP4L3MBTL1L3MBTL3KMT2A
SCHEMBL13597015 0.77 DPP4 (0.63) CYP2D6DPP4L3MBTL1L3MBTL3KMT2A
SCHEMBL3457813 0.77 L3MBTL3 (0.50) CYP2D6DPP4L3MBTL1L3MBTL3KMT2A
SCHEMBL3629712 0.76 L3MBTL3 (0.49) CYP2D6DPP4L3MBTL1L3MBTL3KMT2A
SCHEMBL5390527 0.76 L3MBTL3 (0.49) CYP2D6DPP4L3MBTL1L3MBTL3KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7276524-B2 Pyridyl alkane acid amides as cytostatics and immunosuppressives ASTELLAS DEUTSCHLAND GMBH (DE) 2007-10-02 US disclosed
US-20040176605-A1 New pyridyl alkane acid amides as cytostatics and immunosuppressives KLINGE PHARMA GMBH 2004-09-09 US disclosed
US-20040029861-A1 Use of pyridyl alkane, pyridyl alkene and/or pyridyl alkine acid amides in the treatment of tumors or for immunosuppression KLINGE PHARMA GMBH 2004-02-12 US disclosed
US-20030162972-A1 Pyridyl alkane acid amides as cytostatics and immunosupressives KLINGE PHARMA GMBH 2003-08-28 US disclosed
EP-0912176-B1 USE OF PYRIDYL ALKANE, PYRIDYL ALKENE AND/OR PYRIDYL ALKINE ACID AMIDES IN THE TREATMENT OF TUMORS OR FOR IMMUNOSUPPRESSION FUJISAWA DEUTSCHLAND GMBH (DE) 2002-09-25 EP disclosed
US-6451816-B1 Use of pyridyl alkane, pyridyl alkene and/or pyridyl alkine acid amides in the treatment of tumors or for immunosuppression KLINGE PHARMA GMBH (DE) 2002-09-17 US disclosed
EP-0934309-B1 NEW PYRIDYL ALKANE ACID AMIDES AS CYTOSTATICS AND IMMUNOSUPPRESSIVES FUJISAWA DEUTSCHLAND GMBH (DE) 2002-09-11 EP disclosed
US-6444823-B1 ANTITUMOR AGENTS; IMMUNOSUPPRESSANTS; SIDE EFFECT REDUCTION KLINGE PHARMA GMBH (DE) 2002-09-03 US disclosed
EP-0912176-A1 USE OF PYRIDYL ALKANE, PYRIDYL ALKENE AND/OR PYRIDYL ALKINE ACID AMIDES IN THE TREATMENT OF TUMORS OR FOR IMMUNOSUPPRESSION Klinge Pharma GmbH (DE) 1999-05-06 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 (3 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-20040176605-A1 New pyridyl alkane acid amides as cytostatics and immunosuppressives ALK, ANXA1, ANXA11 CYP2D6 566/4885CYP3A4 1626/4885MAOA 2321/4885
US-20040029861-A1 Use of pyridyl alkane, pyridyl alkene and/or pyridyl alkine acid amides in the treatment of tumors or for immunosuppression ALK, IDO1, PDXK CYP2D6 400/4885CYP3A4 989/4885MAOA 1130/4885
US-20030162972-A1 Pyridyl alkane acid amides as cytostatics and immunosupressives ALK, TYMP, ANXA1 CYP2D6 426/4885CYP3A4 1507/4885MAOA 1586/4885

“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.