SCHEMBL1580100

SCHEMBL1580100

CC(=O)N1CCNCC1c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.54
MEN1 O00255 1/20 0.46
TSHR P16473 1/20 0.46
HTT P42858 1/20 0.46
KMT2A Q03164 1/20 0.46
DPP4 P27487 1/20 0.45
DPP7 Q9UHL4 1/20 0.45
RIPK1 Q13546 3/20 0.44
CYP3A4 P08684 1/20 0.43
CYP2C19 P33261 1/20 0.43
HHAT Q5VTY9 1/20 0.42
TAAR1 Q96RJ0 1/20 0.41
USP19 O94966 2/20 0.41
PARP1 P09874 1/20 0.41
SLC18A3 Q16572 1/20 0.40
MAPK1 P28482 1/20 0.40
KIF11 P52732 2/20 0.40

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
Tert-Butyl Formate SCHEMBL28018953 0.87 POLB (0.43) POLBMEN1TSHRHTTKMT2A
SCHEMBL20528485 0.87 DPP4 (0.46) POLBKMT2ADPP4DPP7RIPK1
SCHEMBL21801033 0.87 DPP4 (0.46) POLBKMT2ADPP4DPP7RIPK1
SCHEMBL2935422 0.87 DPP4 (0.46) POLBKMT2ADPP4DPP7RIPK1
SCHEMBL7749807 0.87 RIPK1 (0.46) DPP4DPP7RIPK1TAAR1USP19
SCHEMBL7590748 0.86 POLB (0.42) POLBMEN1TSHRHTTKMT2A
SCHEMBL3338258 0.86 LMNA (0.44) POLBDPP4DPP7
Hydrochloric Acid SCHEMBL9258072 0.86 DPP4 (0.46) POLBKMT2ADPP4DPP7RIPK1
SCHEMBL19217307 0.85 POLB (0.42) POLBDPP4DPP7RIPK1TAAR1
SCHEMBL2386164 0.84 DPP4 (0.47) POLBDPP4DPP7RIPK1TAAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9353096-B2 Substituted phenylcarbamate compounds HOFFMANN-LA ROCHE INC. (US) 2016-05-31 US disclosed
US-20150218144-A1 SUBSTITUTED PHENYLCARBAMATE COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 2015-08-06 US disclosed
EP-2310364-B1 HETEROCYCLIC DERIVATIVES AS HDAC INHIBITORS DAC SRL (IT) 2013-01-02 EP disclosed
EP-2310364-B1 HETEROCYCLIC DERIVATIVES AS HDAC INHIBITORS DAC SRL (IT) 2013-01-02 EP disclosed
US-20110105474-A1 HETEROCYCLIC DERIVATIVES AS HDAC INHIBITORS DAC S.R.L. 2011-05-05 US disclosed
US-20110105474-A1 HETEROCYCLIC DERIVATIVES AS HDAC INHIBITORS DAC S.R.L. 2011-05-05 US disclosed
US-20110105474-A1 HETEROCYCLIC DERIVATIVES AS HDAC INHIBITORS DAC S.R.L. 2011-05-05 US disclosed
EP-2310364-A1 HETEROCYCLIC DERIVATIVES AS HDAC INHIBITORS DAC S.r.l. (IT) 2011-04-20 EP disclosed
WO-2009150129-A1 HETEROCYCLIC DERIVATIVES AS HDAC INHIBITORS DAC S.R.L. (IT) 2009-12-17 WO disclosed
WO-2009150129-A1 HETEROCYCLIC DERIVATIVES AS HDAC INHIBITORS DAC S.R.L. (IT) 2009-12-17 WO disclosed
EP-2133334-A1 Heterocyclic derivatives as HDAC inhibitors DAC S.r.l. (IT) 2009-12-16 EP disclosed
EP-2133334-A1 Heterocyclic derivatives as HDAC inhibitors DAC S.r.l. (IT) 2009-12-16 EP disclosed
WO-2009058298-A1 P2X3, RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN MERCK & CO., INC. (US) 2009-05-07 WO 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-20150218144-A1 SUBSTITUTED PHENYLCARBAMATE COMPOUNDS TRPA1, TRPV1, TRPV3 POLB 4464/4885MEN1 3883/4885TSHR 3116/4885
US-20110105474-A1 HETEROCYCLIC DERIVATIVES AS HDAC INHIBITORS HDAC3, HDAC1, HDAC5 POLB 650/4885MEN1 2072/4885TSHR 548/4885

“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.