SCHEMBL694083

SCHEMBL694083

Cc1ccc(O)c(CO[Si](C)(C)C(C)(C)C)n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.51
ALDH1A1 P00352 5/20 0.51
HPGD P15428 4/20 0.51
HSD17B10 Q99714 2/20 0.51
USP2 O75604 1/20 0.51
GFER P55789 1/20 0.46
RAB9A P51151 2/20 0.42
KMT2A Q03164 2/20 0.34
OPRK1 P41145 1/20 0.34
BACE1 P56817 1/20 0.34
LMNA P02545 2/20 0.33
HIF1A Q16665 2/20 0.33
METAP2 P50579 1/20 0.32
TACR1 P25103 1/20 0.31
MEN1 O00255 1/20 0.31
NPC1 O15118 1/20 0.31
TP53 P04637 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
MAPT P10636 1/20 0.31

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
SCHEMBL18859900 0.81 KDM4E (0.38) KDM4EALDH1A1HPGDHSD17B10USP2
SCHEMBL18872805 0.81 KDM4E (0.34) KDM4EALDH1A1HPGDHSD17B10USP2
SCHEMBL28851111 0.81 KDM4E (0.33) KDM4EALDH1A1HPGDHSD17B10USP2
SCHEMBL29664278 0.81 KDM4E (0.33) KDM4EALDH1A1HPGDHSD17B10USP2
SCHEMBL610829 0.76 TACR1 (0.37) KDM4EALDH1A1HPGDBACE1TACR1
SCHEMBL30781575 0.74 CHRM1 (0.51) KDM4EALDH1A1HPGDHSD17B10RAB9A
SCHEMBL2656120 0.74 CHRM1 (0.51) KDM4EALDH1A1HPGDHSD17B10RAB9A
SCHEMBL10121601 0.74 KDM4E (0.33) KDM4EHSD17B10KMT2A
SCHEMBL17150209 0.74 S1PR4 (0.42) KDM4EHPGDLMNANPC1MAPT
SCHEMBL17150196 0.74 NPY1R (0.32) KDM4EALDH1A1KMT2AMEN1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10738031-B2 N-[(heteroaryloxy)propanyl]heteroaryl carboxamides as antagonists of orexin subtype 1 receptor activity BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2020-08-11 US disclosed
US-20190112292-A1 NOVEL N-[(HETEROARYLOXY)PROPANYL]HETEROARYL CARBOXAMIDES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2019-04-18 US disclosed
EP-2421850-A1 3 -AZABICYCLO [4.1.0]HEPTANES USED AS OREXIN ANTAGONISTS Glaxo Group Limited (GB) 2012-02-29 EP disclosed
US-20120040991-A1 3-AZABICYCLO [4.1.0] HEPTANES USED AS OREXIN ANTAGONISTS GLAXO GROUP LIMITED (GB) 2012-02-16 US disclosed
EP-2379550-A1 PIPERIDINE DERIVATIVES USEFUL AS OREXIN ANTAGONISTS Glaxo Group Limited (GB) 2011-10-26 EP disclosed
US-20110257198-A1 PIPERIDINE DERIVATIVES USEFUL AS OREXIN ANTAGONISTS GLAXO GROUP LIMITED (GB) 2011-10-20 US disclosed
US-20110257198-A1 PIPERIDINE DERIVATIVES USEFUL AS OREXIN ANTAGONISTS GLAXO GROUP LIMITED (GB) 2011-10-20 US disclosed
WO-2010122151-A1 3 -AZABICYCLO [4.1.0] HEPTANES USED AS OREXIN ANTAGONISTS GLAXO GROUP LIMITED (GB) 2010-10-28 WO disclosed
WO-2010072722-A1 PIPERIDINE DERIVATIVES USEFUL AS OREXIN ANTAGONISTS GLAXO GROUP LIMITED (GB) 2010-07-01 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 (4 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-20190112292-A1 NOVEL N-[(HETEROARYLOXY)PROPANYL]HETEROARYL CARBOXAMIDES HCRTR2, HCRTR1, CNR2 KDM4E 2364/4885ALDH1A1 557/4885HPGD 1333/4885
US-20110257198-A1 PIPERIDINE DERIVATIVES USEFUL AS OREXIN ANTAGONISTS HCRTR2, HCRTR1, VIPR2 KDM4E 1459/4885ALDH1A1 1507/4885HPGD 732/4885
US-20120040991-A1 3-AZABICYCLO [4.1.0] HEPTANES USED AS OREXIN ANTAGONISTS HCRTR2, HCRTR1, NPY2R KDM4E 1115/4885ALDH1A1 548/4885HPGD 626/4885
US-10738031-B2 N-[(heteroaryloxy)propanyl]heteroaryl carboxamides as antagonists of orexin subtype 1 receptor activity HCRTR2, HCRTR1, CNR1 KDM4E 2986/4885ALDH1A1 747/4885HPGD 1093/4885

“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.