SCHEMBL2804784

SCHEMBL2804784

CC(C)(C)OC(=O)NC1CCCc2ccc(O)cc21

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.50
TAS1R3 Q7RTX0 2/20 0.48
TAS1R1 Q7RTX1 2/20 0.48
TAS1R2 Q8TE23 1/20 0.48
MAOA P21397 1/20 0.42
MAOB P27338 1/20 0.42
LMNA P02545 2/20 0.41
CTSS P25774 1/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
ESR2 Q92731 1/20 0.41
TAOK1 Q7L7X3 1/20 0.41
TAOK3 Q9H2K8 1/20 0.41
HTT P42858 1/20 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
SCHEMBL1372805 0.92 MAOA (0.50) TRPV1TAS1R3TAS1R1TAS1R2MAOA
SCHEMBL7942829 0.92 MAOA (0.50) TRPV1TAS1R3TAS1R1TAS1R2MAOA
SCHEMBL3300984 0.92 MAOA (0.50) TRPV1TAS1R3TAS1R1TAS1R2MAOA
SCHEMBL29372292 0.90 TAS1R3 (0.48) TRPV1TAS1R3TAS1R1TAS1R2LMNA
SCHEMBL15074697 0.88 LMNA (0.48) TAS1R3TAS1R1TAS1R2LMNAMEN1
SCHEMBL10256440 0.86 LMNA (0.51) LMNACTSSMEN1KMT2ATAOK1
SCHEMBL397521 0.86 NR1H2 (0.42) TAS1R3TAS1R1TAS1R2LMNACTSS
SCHEMBL26073271 0.86 TAS1R3 (0.45) TRPV1TAS1R3TAS1R1TAS1R2LMNA
SCHEMBL20683057 0.86 TAS1R3 (0.45) TRPV1TAS1R3TAS1R1TAS1R2LMNA
SCHEMBL803449 0.85 HTT (0.47) TAS1R3TAS1R1TAS1R2LMNACTSS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130296327-A1 SUBSTITUTED HETEROCYLIC COMPOUNDS INCYTE CORPORATION 2013-11-07 US disclosed
US-20130296327-A1 SUBSTITUTED HETEROCYLIC COMPOUNDS INCYTE CORPORATION 2013-11-07 US disclosed
US-20130296327-A1 SUBSTITUTED HETEROCYLIC COMPOUNDS INCYTE CORPORATION 2013-11-07 US disclosed
US-8481732-B2 Substituted heterocyclic compounds INCYTE CORPORATION (US) 2013-07-09 US disclosed
US-8481732-B2 Substituted heterocyclic compounds INCYTE CORPORATION (US) 2013-07-09 US disclosed
US-8481732-B2 Substituted heterocyclic compounds INCYTE CORPORATION (US) 2013-07-09 US disclosed
US-20100240671-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS INCYTE CORPORATION (US) 2010-09-23 US disclosed
US-20100240671-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS INCYTE CORPORATION (US) 2010-09-23 US disclosed
US-20100240671-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS INCYTE CORPORATION (US) 2010-09-23 US disclosed
WO-2010108059-A1 SUBSTITUTED PYRIMIDINE DERIVATIVES AS ANTAGONISTS OF THE HISTAMINE H4 RECEPTOR INCYTE CORPORATION (US) 2010-09-23 WO disclosed
WO-2010108059-A1 SUBSTITUTED PYRIMIDINE DERIVATIVES AS ANTAGONISTS OF THE HISTAMINE H4 RECEPTOR INCYTE CORPORATION (US) 2010-09-23 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-20130296327-A1 SUBSTITUTED HETEROCYLIC COMPOUNDS HRH4, HRH2, HRH1 TRPV1 6/4885TAS1R3 981/4885TAS1R1 785/4885
US-20100240671-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS HRH4, HRH2, HRH1 TRPV1 7/4885TAS1R3 1418/4885TAS1R1 1511/4885

“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.