SCHEMBL2735582

SCHEMBL2735582

CC1CCCN(C(=O)C(N)C(C)(C)C)C1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 4/20 0.50
DPP8 Q6V1X1 3/20 0.50
DPP7 Q9UHL4 3/20 0.50
DPP9 Q86TI2 2/20 0.50
FAP Q12884 1/20 0.50
ALDH1A1 P00352 2/20 0.49
LMNA P02545 1/20 0.49
POLB P06746 2/20 0.45
MEN1 O00255 1/20 0.45
MAPT P10636 1/20 0.45
KMT2A Q03164 1/20 0.45
RECQL P46063 1/20 0.43
HPGD P15428 3/20 0.43
TSHR P16473 1/20 0.43
MAPK1 P28482 1/20 0.43
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA7 P43166 1/20 0.42
CA9 Q16790 1/20 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
SCHEMBL18098494 0.90 DPP4 (0.51) DPP4DPP8DPP7DPP9FAP
SCHEMBL4114016 0.84 DPP4 (0.50) DPP4DPP8DPP7DPP9FAP
SCHEMBL19982003 0.82 DPP4 (0.50) DPP4DPP8DPP7DPP9FAP
SCHEMBL2735526 0.82 DPP4 (0.50) DPP4DPP8DPP7DPP9FAP
SCHEMBL12884802 0.81 ALDH1A1 (0.50) DPP4DPP8DPP7DPP9FAP
Hydrochloric Acid SCHEMBL1216811 0.80 ALDH1A1 (0.49) DPP4DPP8DPP7DPP9FAP
SCHEMBL14655934 0.79 DPP4 (0.58) DPP4DPP8DPP7DPP9FAP
SCHEMBL15203546 0.79 DPP4 (0.58) DPP4DPP8DPP7DPP9FAP
SCHEMBL15203468 0.79 DPP4 (0.58) DPP4DPP8DPP7DPP9FAP
SCHEMBL4125726 0.79 DPP4 (0.49) DPP4DPP8DPP7DPP9FAP

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
US-8088823-B2 Tuberculosis treatment using pleuromutilin derivatives NABRIVA THERAPEUTICS AG (AT) 2012-01-03 US disclosed
EP-1875903-A1 TUBERCULOSIS TREATMENT USING PLEUROMUTILIN DERIVATIVES Nabriva Therapeutics Forschungs GmbH (AT) 2008-01-09 EP 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 DPP4 474/4885DPP8 750/4885DPP7 445/4885
US-20120046276-A1 Tuberculosis treatment using pleuromutilin derivatives PLEC, TTR, TREH DPP4 474/4885DPP8 750/4885DPP7 445/4885

“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.