SCHEMBL2735537

SCHEMBL2735537

CC1CCCN(C(=O)C(N)C(C)C)CC1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.54
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
DPP4 P27487 13/20 0.49
DPP7 Q9UHL4 7/20 0.49
DPP8 Q6V1X1 6/20 0.49
DPP9 Q86TI2 4/20 0.49
FAP Q12884 3/20 0.49
PREP P48147 2/20 0.49
PITRM1 Q5JRX3 1/20 0.49
HPGD P15428 1/20 0.41
GAA P10253 1/20 0.40
NPC1 O15118 1/20 0.40
CYP3A4 P08684 1/20 0.39
CYP2C19 P33261 1/20 0.39
LMNA P02545 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
SCHEMBL22630456 0.93 ALDH1A1 (0.61) ALDH1A1MEN1KMT2ADPP4DPP7
SCHEMBL17787623 0.93 ALDH1A1 (0.61) ALDH1A1MEN1KMT2ADPP4DPP7
SCHEMBL19981943 0.93 ALDH1A1 (0.61) ALDH1A1MEN1KMT2ADPP4DPP7
SCHEMBL19982003 0.87 DPP4 (0.50) ALDH1A1MEN1KMT2ADPP4DPP7
SCHEMBL2735526 0.87 DPP4 (0.50) ALDH1A1MEN1KMT2ADPP4DPP7
SCHEMBL17176288 0.83 DPP4 (0.59) ALDH1A1MEN1KMT2ADPP4DPP7
SCHEMBL2735521 0.83 DPP4 (0.59) ALDH1A1MEN1KMT2ADPP4DPP7
SCHEMBL17176286 0.83 DPP4 (0.59) ALDH1A1MEN1KMT2ADPP4DPP7
SCHEMBL9102765 0.82 DPP4 (0.47) DPP4DPP7DPP8DPP9FAP
SCHEMBL1951493 0.82 DPP4 (0.47) DPP4DPP7DPP8DPP9FAP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120046276-A1 Tuberculosis treatment using pleuromutilin derivatives NABRIVA THERAPEUTICS AG (AT) 2012-02-23 US disclosed
US-20120046276-A1 Tuberculosis treatment using pleuromutilin derivatives NABRIVA THERAPEUTICS AG (AT) 2012-02-23 US disclosed
US-8088823-B2 Tuberculosis treatment using pleuromutilin derivatives NABRIVA THERAPEUTICS AG (AT) 2012-01-03 US disclosed
EP-1501495-B1 USE OF PLEUROMUTILINS FOR THE TREATMENT OF DISORDERS CAUSED BY HELICOBACTER PYLORI NABRIVA THERAPEUTICS AG (AT) 2010-09-08 EP disclosed
US-7790749-B2 Use of pleuromutilins for the treatment of disorders caused by Helicobacter pylori NABRIVA THERAPEUTICS AG (AT) 2010-09-07 US disclosed
US-20070270404-A1 Tuberculosis treatment using pleuromutilin derivatives NABRIVA THERAPEUTICS FORSCHUNGS GMBH (AT) 2007-11-22 US disclosed
US-20070270404-A1 Tuberculosis treatment using pleuromutilin derivatives NABRIVA THERAPEUTICS FORSCHUNGS GMBH (AT) 2007-11-22 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 (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-20070270404-A1 Tuberculosis treatment using pleuromutilin derivatives PLEC, TTR, TREH ALDH1A1 1152/4885MEN1 559/4885KMT2A 4575/4885
US-20120046276-A1 Tuberculosis treatment using pleuromutilin derivatives PLEC, TTR, TREH ALDH1A1 1152/4885MEN1 559/4885KMT2A 4575/4885

“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.