SCHEMBL4240306

SCHEMBL4240306

CCc1c(O)cc(O)c(-c2ccccc2)c1CCCOCC(=O)NC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.40
RECQL P46063 3/20 0.36
POLB P06746 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
ESR1 P03372 2/20 0.33
ESR2 Q92731 1/20 0.33
HDAC1 Q13547 3/20 0.33
HDAC2 Q92769 3/20 0.33
HDAC3 O15379 2/20 0.33
HDAC4 P56524 2/20 0.33
HDAC7 Q8WUI4 2/20 0.33
HDAC10 Q969S8 2/20 0.33
HDAC11 Q96DB2 2/20 0.33
HDAC8 Q9BY41 2/20 0.33
HDAC6 Q9UBN7 2/20 0.33
HDAC9 Q9UKV0 2/20 0.33
HDAC5 Q9UQL6 2/20 0.33
TSHR P16473 1/20 0.33
GAA P10253 2/20 0.32
NR1H2 P55055 1/20 0.32

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
SCHEMBL4389478 0.93 CNR2 (0.39) CNR2RECQLPOLBSMN1; SMN2ESR1
SCHEMBL4396284 0.87 CNR2 (0.40) CNR2RECQLSMN1; SMN2TSHRGAA
SCHEMBL4387546 0.86 HPGD (0.42) RECQLTSHRCYP2C19CYP2D6SLC6A2
SCHEMBL4387022 0.86 CNR2 (0.44) CNR2RECQLPOLBSMN1; SMN2ESR1
SCHEMBL4395152 0.84 CNR2 (0.40) CNR2RECQLPOLBSMN1; SMN2ESR1
SCHEMBL4391973 0.81 CNR2 (0.39) CNR2RECQLPOLBSMN1; SMN2ESR1
SCHEMBL4377955 0.80 CNR2 (0.38) CNR2RECQLPOLBSMN1; SMN2ESR1
SCHEMBL4391979 0.79 EGFR (0.35) RECQLSMN1; SMN2HDAC1HDAC2TSHR
SCHEMBL4378125 0.79 CNR2 (0.43) CNR2RECQLPOLBSMN1; SMN2ESR1
SCHEMBL4381573 0.78 CNR2 (0.37) CNR2RECQLPOLBSMN1; SMN2ESR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4262975-A1 HETEROCYCLIC DERIVATIVES AS P2X7 RECEPTOR ANTAGONISTS Breye Therapeutics ApS (DK) 2023-10-25 EP disclosed
EP-4110784-A1 PYRIMIDO[5,4-D]PYRIMIDINE DERIVATIVES AS ENT INHIBITORS FOR THE TREATMENT OF CANCERS, AND COMBINATION THEREOF WITH ADENOSINE RECEPTOR ANTAGONISTS iTeos Belgium SA (BE) 2023-01-04 EP disclosed
WO-2022129365-A1 HETEROCYCLIC DERIVATIVES AS P2X7 RECEPTOR ANTAGONISTS AXXAM S.P.A. (IT) 2022-06-23 WO disclosed
EP-3921316-A1 BICYCLIC ETHER O-GLYCOPROTEIN-2-ACETAMIDO-2-DEOXY-3-D-GLUCOPYRANOSIDASE INHIBITORS Biogen MA Inc. (US) 2021-12-15 EP disclosed
EP-3710428-A1 MODULATORS OF THE INTEGRATED STRESS PATHWAY Calico Life Sciences LLC (US) 2020-09-23 EP disclosed
WO-2020163193-A1 BICYCLIC ETHER O-GLYCOPROTEIN-2-ACETAMIDO-2-DEOXY-3-D-GLUCOPYRANOSIDASE INHIBITORS BIOGEN MA INC. (US) 2020-08-13 WO disclosed
EP-3303323-A1 3,3-DIFLUOROPIPERIDINE CARBAMATE HETEROCYCLIC COMPOUNDS AS NR2B NMDA RECEPTOR ANTAGONISTS Rugen Holdings (Cayman) Limited (KY) 2018-04-11 EP disclosed
WO-2016196513-A1 3,3-DIFLUOROPIPERIDINE CARBAMATE HETEROCYCLIC COMPOUNDS AS NR2B NMDA RECEPTOR ANTAGONISTS RUGEN HOLDINGS (CAYMAN) LIMITED (KY) 2016-12-08 WO disclosed
WO-2016100349-A2 BICYCLIC AZAHETEROCYCLIC COMPOUNDS AS NR2B NMDA RECEPTOR ANTAGONISTS RUGEN HOLDINGS (CAYMAN) LIMITED (KY) 2016-06-23 WO disclosed
EP-2925745-A1 CXCR7 ANTAGONISTS ChemoCentryx, Inc. (US) 2015-10-07 EP disclosed
WO-2014085490-A1 CXCR7 ANTAGONISTS CHEMOCENTRYX, INC. (US) 2014-06-05 WO disclosed
US-7538241-B2 Hsp90 family protein inhibitors KYOWA HAKKO KOGYO CO., LTD. (JP) 2009-05-26 US disclosed
WO-2009064418-A1 SUBSTITUTED HYDROXYETHYL AMINE COMPOUNDS AS BETA-SECRETASE MODULATORS AND METHODS OF USE AMGEN INC. (US) 2009-05-22 WO disclosed
US-20070155813-A1 Hsp90 family protein inhibitors KYOWA HAKKO KOGYO CO., LTD. (JP) 2007-07-05 US disclosed
EP-1704856-A1 HSP90 FAMILY PROTEIN INHIBITOR KYOWA HAKKO KOGYO CO., LTD. (JP) 2006-09-27 EP 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 (1 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-20070155813-A1 Hsp90 family protein inhibitors HSP90AB1, HEATR1, HSP90AB2P CNR2 1898/4885RECQL 1489/4885POLB 3913/4885

“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.