SCHEMBL4526940

SCHEMBL4526940

O=C(CO)NC1CC[N]CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.42
HPGD P15428 5/20 0.39
KMT2A Q03164 4/20 0.39
EPHX1 P07099 2/20 0.39
ALDH1A1 P00352 2/20 0.38
NPSR1 Q6W5P4 1/20 0.37
HDAC3 O15379 2/20 0.36
HDAC1 Q13547 2/20 0.36
HDAC2 Q92769 2/20 0.36
HDAC10 Q969S8 2/20 0.36
HDAC11 Q96DB2 2/20 0.36
HDAC8 Q9BY41 2/20 0.36
HDAC6 Q9UBN7 2/20 0.36
LMNA P02545 2/20 0.36
NCOR2 Q9Y618 1/20 0.36
MEN1 O00255 1/20 0.35
POLB P06746 1/20 0.35
ALOX12 P18054 1/20 0.35
APOBEC3A P31941 1/20 0.35
APOBEC3G Q9HC16 1/20 0.35

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
SCHEMBL4999 0.88 SMN1; SMN2 (0.35) SMN1; SMN2HPGDKMT2AEPHX1ALDH1A1
SCHEMBL666794 0.88 SMN1; SMN2 (0.35) SMN1; SMN2HPGDKMT2AEPHX1ALDH1A1
SCHEMBL665298 0.88 SMN1; SMN2 (0.35) SMN1; SMN2HPGDKMT2AEPHX1ALDH1A1
SCHEMBL2093857 0.84
SCHEMBL1489877 0.81 MTNR1A (0.44) SMN1; SMN2HPGDKMT2AEPHX1ALDH1A1
SCHEMBL1715478 0.79 SMN1; SMN2 (0.64) SMN1; SMN2HPGDKMT2AEPHX1ALDH1A1
SCHEMBL2096797 0.79
SCHEMBL10995802 0.78 SMN1; SMN2 (0.47) SMN1; SMN2HPGDKMT2AALDH1A1HDAC3
SCHEMBL3549900 0.77
SCHEMBL2089150 0.77 EPHX1 (0.63) SMN1; SMN2HPGDKMT2AEPHX1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090099157-A1 TETRAHYDRO-PYRAZOLO-PYRIDINE THIOETHER MODULATORS OF CATHEPSIN S SUNESIS PHARMACEUTICALS, INC. 2009-04-16 US claimed
WO-2008100621-A2 TETRAHYDRO-PYRAZOLO-PYRIDINE THIOETHER MODULATORS OF CATHEPSIN S SUNESIS PHARMACEUTICALS, INC. (US) 2008-08-21 WO claimed
US-7365067-B2 Indanol derivative SANKYO COMPANY, LIMITED (JP) 2008-04-29 US claimed
US-20070197570-A1 Indanol derivative SANKYO COMPANY, LIMITED (JP) 2007-08-23 US claimed
EP-1746095-A1 INDANOL DERIVATIVE Sankyo Company, Limited (JP) 2007-01-24 EP claimed
US-20090099157-A1 TETRAHYDRO-PYRAZOLO-PYRIDINE THIOETHER MODULATORS OF CATHEPSIN S SUNESIS PHARMACEUTICALS, INC. 2009-04-16 US disclosed
WO-2008100621-A2 TETRAHYDRO-PYRAZOLO-PYRIDINE THIOETHER MODULATORS OF CATHEPSIN S SUNESIS PHARMACEUTICALS, INC. (US) 2008-08-21 WO disclosed
US-7365067-B2 Indanol derivative SANKYO COMPANY, LIMITED (JP) 2008-04-29 US disclosed
US-20070197570-A1 Indanol derivative SANKYO COMPANY, LIMITED (JP) 2007-08-23 US disclosed
EP-1746095-A1 INDANOL DERIVATIVE Sankyo Company, Limited (JP) 2007-01-24 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 (2 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-20070197570-A1 Indanol derivative BDKRB2, BDKRB1, TACR2 SMN1; SMN2 3513/4885HPGD 1001/4885KMT2A 1946/4885
US-20090099157-A1 TETRAHYDRO-PYRAZOLO-PYRIDINE THIOETHER MODULATORS OF CATHEPSIN S CTSS, CTSE, CTSK SMN1; SMN2 4554/4885HPGD 1573/4885KMT2A 4175/4885

“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.