SCHEMBL2804566

SCHEMBL2804566

O=C(O)NC1CCCc2ccc(O)cc21

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 5/20 0.55
TAS1R1 Q7RTX1 5/20 0.55
TAS1R2 Q8TE23 4/20 0.55
TRPV1 Q8NER1 1/20 0.54
HTT P42858 1/20 0.50
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
CTSS P25774 1/20 0.46
TAOK1 Q7L7X3 1/20 0.46
TAOK3 Q9H2K8 1/20 0.46
LMNA P02545 1/20 0.46
OPRK1 P41145 1/20 0.46
ALDH1A1 P00352 2/20 0.46
MAOA P21397 1/20 0.46
MAOB P27338 1/20 0.46
HSD17B10 Q99714 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
HPGD P15428 1/20 0.45
TSHR P16473 1/20 0.45

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
SCHEMBL22772302 0.88 TAS1R3 (0.55) TAS1R3TAS1R1TAS1R2TRPV1HTT
SCHEMBL11600879 0.87 TAS1R3 (0.54) TAS1R3TAS1R1TAS1R2TRPV1HTT
SCHEMBL19521080 0.84 KMT2A (0.54) TAS1R3TAS1R1TAS1R2HTTMEN1
SCHEMBL20532721 0.84 TAS1R3 (0.51) TAS1R3TAS1R1TAS1R2TRPV1HTT
SCHEMBL20532720 0.84 TAS1R3 (0.51) TAS1R3TAS1R1TAS1R2TRPV1HTT
SCHEMBL8370042 0.84 HTT (0.49) TAS1R3TAS1R1TAS1R2HTTMEN1
SCHEMBL23362958 0.80 LMNA (0.48) TAS1R3TAS1R1TAS1R2HTTMEN1
SCHEMBL2804784 0.80 TRPV1 (0.50) TAS1R3TAS1R1TAS1R2TRPV1HTT
SCHEMBL9011724 0.80 HTT (0.75) TAS1R3TAS1R1TAS1R2HTTMEN1
SCHEMBL14614701 0.80 MAOA (0.52) TAS1R3TAS1R1TAS1R2TRPV1MAOA

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 4 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-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
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 TAS1R3 981/4885TAS1R1 785/4885TAS1R2 1061/4885
US-20100240671-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS HRH4, HRH2, HRH1 TAS1R3 1418/4885TAS1R1 1511/4885TAS1R2 1502/4885

“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.