SCHEMBL298128

SCHEMBL298128

COc1ccc(C2=C(c3ccc(OCc4cn5c(C)cccc5n4)cc3)C(=O)C(C)(C)O2)cc1.CS(=O)(=O)O

nearest known ligand 0.53

Known targets — ChEMBL curated mechanism

ABL1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB2AGTR1BCL2BCL2A1BCL2L1BCL2L10BCL2L2BCRBRAFCHRM1CHRNA10CHRNA9DRD1DRD2DRD3DRD4DRD5EGFRF2FLT1FLT4GCKGHSRGNRHRGRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BHTR1AHTR1BHTR1DHTR2AHTR2CHTR3AIDH2KDRKITMAOBMCL1MTTPPP4HBPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PIKFYVEROCK1ROCK2SLC18A2SLC6A2SLC6A3SLC6A4TACR1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8gyrAgyrBparCparEpol

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADRB2 known ✓ P07550 1/20 0.39
MAPT P10636 6/20 0.53
RAB9A P51151 3/20 0.53
KDM4E B2RXH2 1/20 0.53
GAA P10253 1/20 0.53
NPC1 O15118 1/20 0.39
LMNA P02545 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
POLB P06746 1/20 0.36
HRH3 Q9Y5N1 1/20 0.35
JAK1 P23458 1/20 0.35
JAK3 P52333 2/20 0.34
TYK2 P29597 1/20 0.34
TP53 P04637 1/20 0.34
JAK2 O60674 1/20 0.34
PTK2 Q05397 1/20 0.34

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
SCHEMBL296229 0.95 MAPT (0.59) MAPTRAB9AKDM4EGAANPC1
SCHEMBL15000306 0.89 RAB9A (0.60) MAPTRAB9AKDM4EGAANPC1
SCHEMBL296768 0.87 KDM4E (0.48) MAPTRAB9AKDM4ENPC1ADRB2
SCHEMBL298442 0.87 MAPT (0.36) MAPTRAB9AKDM4EGAAJAK3
SCHEMBL297472 0.83 KDM4E (0.40) MAPTRAB9AKDM4EGAANPC1
SCHEMBL286507 0.81 KDM4E (0.39) MAPTRAB9AKDM4EGAANPC1
SCHEMBL286674 0.81 KDM4E (0.51) MAPTRAB9AKDM4EGAANPC1
SCHEMBL296746 0.80 RAB9A (0.43) MAPTRAB9AKDM4ENPC1LMNA
SCHEMBL286384 0.79 SYK (0.44) RAB9AKDM4EGAANPC1TP53
SCHEMBL296262 0.78 KDM4E (0.46) MAPTRAB9AKDM4EGAANPC1

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
EP-3020716-A1 PHENOXYMETHYL HETEROCYCLIC COMPOUNDS Forum Pharmaceuticals Inc. (US) 2016-05-18 EP disclosed
US-20150322069-A1 PHENOXYMETHYL HETEROCYCLIC COMPOUNDS FMR LLC 2015-11-12 US disclosed
EP-2617420-B1 Phenoxymethyl heterocyclic compounds FORUM PHARMACEUTICALS INC (US) 2015-09-23 EP disclosed
US-8946222-B2 Phenoxymethyl heterocyclic compounds FORUM PHARMACEUTICALS INC. (US) 2015-02-03 US disclosed
EP-2617420-A1 Phenoxymethyl heterocyclic compounds Envivo Pharmaceuticals, Inc. (US) 2013-07-24 EP disclosed
US-20130143888-A1 PHENOXYMETHYL HETEROCYCLIC COMPOUNDS ENVIVO PHAMACEUTICALS, INC. (US) 2013-06-06 US disclosed
EP-2427454-B1 Phenoxymethyl heterocyclic compounds ENVIVO PHARMACEUTICALS INC (US) 2013-03-20 EP disclosed
US-8343973-B2 Phenoxymethyl heterocyclic compounds ENVIVO PHARMACEUTICALS, INC. (US) 2013-01-01 US disclosed
EP-2427454-A1 PHENOXYMETHYL HETEROCYCLIC COMPOUNDS Envivo Pharmaceuticals, Inc. (US) 2012-03-14 EP disclosed
US-20100292238-A1 Phenoxymethyl Heterocyclic Compounds FMR LLC 2010-11-18 US disclosed
WO-2010128995-A1 PHENOXYMETHYL HETEROCYCLIC COMPOUNDS ENVIVO PHARMACEUTICALS, INC. (US) 2010-11-11 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 (3 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-20150322069-A1 PHENOXYMETHYL HETEROCYCLIC COMPOUNDS PDE3A, PDE2A, PDE5A ADRB2 1090/4885MAPT 1299/4885RAB9A 1008/4885
US-20130143888-A1 PHENOXYMETHYL HETEROCYCLIC COMPOUNDS PDE3A, PDE2A, PDE5A ADRB2 1090/4885MAPT 1299/4885RAB9A 1008/4885
US-20100292238-A1 Phenoxymethyl Heterocyclic Compounds PDE3A, PDE2A, PDE5A ADRB2 1090/4885MAPT 1299/4885RAB9A 1008/4885

“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.