SCHEMBL296768

SCHEMBL296768

COc1ccc(C2=C(c3ccc(OCc4cn5ccccc5n4)cc3)C(=O)C(C)(C)O2)cc1.CS(=O)(=O)O

nearest known ligand 0.48

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 20)

geneUniProtsupporting neighboursconfidence
ADRB2 known ✓ P07550 1/20 0.40
KDM4E B2RXH2 8/20 0.48
ALDH1A1 P00352 4/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
LMNA P02545 1/20 0.46
NPC1 O15118 4/20 0.46
RAB9A P51151 4/20 0.46
HPGD P15428 2/20 0.46
TP53 P04637 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C19 P33261 1/20 0.46
HSD17B10 Q99714 1/20 0.46
MAPT P10636 5/20 0.44
HCRTR1 O43613 1/20 0.43
PDE10A Q9Y233 1/20 0.43
TDP1 Q9NUW8 4/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
PKM P14618 1/20 0.41
EPHX2 P34913 1/20 0.41

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
SCHEMBL286674 0.95 KDM4E (0.51) KDM4EALDH1A1SMN1; SMN2LMNANPC1
SCHEMBL296262 0.91 KDM4E (0.46) KDM4EALDH1A1SMN1; SMN2LMNANPC1
SCHEMBL297472 0.88 KDM4E (0.40) KDM4EALDH1A1SMN1; SMN2LMNANPC1
SCHEMBL298128 0.87 MAPT (0.53) KDM4ESMN1; SMN2LMNANPC1RAB9A
SCHEMBL298442 0.87 MAPT (0.36) KDM4ERAB9AMAPTHCRTR1PDE10A
SCHEMBL286706 0.85 KDM4E (0.48) KDM4EALDH1A1SMN1; SMN2LMNANPC1
SCHEMBL13050099 0.85 SMN1; SMN2 (0.48) KDM4EALDH1A1SMN1; SMN2LMNANPC1
SCHEMBL296746 0.82 RAB9A (0.43) KDM4EALDH1A1SMN1; SMN2LMNANPC1
SCHEMBL297504 0.82 KDM4E (0.43) KDM4EALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL286507 0.81 KDM4E (0.39) KDM4EALDH1A1SMN1; SMN2LMNANPC1

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 1090/4885KDM4E 559/4885ALDH1A1 821/4885
US-20130143888-A1 PHENOXYMETHYL HETEROCYCLIC COMPOUNDS PDE3A, PDE2A, PDE5A ADRB2 1090/4885KDM4E 559/4885ALDH1A1 821/4885
US-20100292238-A1 Phenoxymethyl Heterocyclic Compounds PDE3A, PDE2A, PDE5A ADRB2 1090/4885KDM4E 559/4885ALDH1A1 821/4885

“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.