SCHEMBL1003295

SCHEMBL1003295

CNC(=O)c1cc(C)cc(C)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TPMT P51580 1/20 0.54
MMP13 P45452 1/20 0.48
HDAC8 Q9BY41 2/20 0.48
HDAC6 Q9UBN7 2/20 0.48
HDAC2 Q92769 1/20 0.48
TAS1R3 Q7RTX0 2/20 0.46
TAS1R1 Q7RTX1 2/20 0.46
TAS1R2 Q8TE23 1/20 0.46
GAA P10253 1/20 0.46
HPGD P15428 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
TSHR P16473 1/20 0.45
HTT P42858 1/20 0.45
POLB P06746 3/20 0.44
THRB P10828 1/20 0.44
PLK1 P53350 3/20 0.43
ALDH1A1 P00352 3/20 0.43
KDM4E B2RXH2 2/20 0.43
NPC1 O15118 1/20 0.42
USP2 O75604 1/20 0.42

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
Hydrochloric Acid SCHEMBL21438790 0.98 TPMT (0.52) TPMTMMP13HDAC8HDAC6HDAC2
SCHEMBL15492141 0.95 HDAC8 (0.52) TPMTMMP13HDAC8HDAC6HDAC2
SCHEMBL18176000 0.89 ALDH1A1 (0.48) TPMTMMP13HDAC8HDAC6HDAC2
SCHEMBL23471361 0.87 TPMT (0.64) TPMTMMP13HDAC8HDAC6HDAC2
SCHEMBL29318386 0.87 HCAR1 (0.61) TPMTMMP13HDAC8HDAC6HDAC2
SCHEMBL9926545 0.85 KDR (0.47) TPMTMMP13HDAC8HDAC6HDAC2
SCHEMBL11983490 0.85 HDAC6 (0.42) TPMTMMP13HDAC8HDAC6HDAC2
SCHEMBL30518015 0.85 KDR (0.47) TPMTMMP13HDAC8HDAC6HDAC2
SCHEMBL25062026 0.85 HDAC6 (0.45) TPMTMMP13HDAC8HDAC6HDAC2
SCHEMBL12852627 0.85 MMP13 (0.42) TPMTMMP13HDAC8HDAC6HDAC2

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 30 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12168648-B2 Opioid receptor modulators EPIODYNE, INC. (US) 2024-12-17 US disclosed
CN-112867705-B Opioid receptor modulators and products and methods related thereto 埃皮欧黛公司 2024-08-20 CN disclosed
US-20240092746-A1 OPIOID RECEPTOR MODULATORS EPIODYNE, INC. 2024-03-21 US disclosed
CN-117425644-A Opioid receptor modulators 埃皮欧黛公司 2024-01-19 CN disclosed
WO-2023081759-A1 BIFUNCTIONAL PI3K-ALPHA INHIBITORS AND USES THEREOF RELAY THERAPEUTICS, INC. (US) 2023-05-11 WO disclosed
CN-112867705-A Opioid receptor modulators and products and methods related thereto 埃皮欧黛公司 2021-05-28 CN disclosed
US-10919859-B2 Benzylaminopyridylcyclopropanecarboxylic acids, pharmaceutical compositions and uses thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2021-02-16 US disclosed
US-10793530-B2 Benzylaminopyrazinylcyclopropanecarboxylic acids, pharmaceutical compositions and uses thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2020-10-06 US disclosed
US-10788499-B2 Methods for assaying palmitoyl protein thioesterase 1 and tripeptidyl peptidase activity in dried blood spots for detection of neuronal ceroid lipofuscinoses in newborns UNIVERSITY OF WASHINGTON (US) 2020-09-29 US disclosed
EP-3616753-A1 COMPOUNDS FOR MODULATING ADENOSINE A2B RECEPTOR AND ADENOSINE A2A RECEPTOR Corvus Pharmaceuticals, Inc. (US) 2020-03-04 EP disclosed
US-20150174130-A1 COMPOSITIONS AND METHODS FOR TREATING MICROBIAL INFECTIONS VANDERBILT UNIVERSITY 2015-06-25 US disclosed
US-8778219-B2 Ionic liquids for separation of olefin-paraffin mixtures UT-BATTELLE, LLC (US) 2014-07-15 US disclosed
US-20130338389-A1 IONIC LIQUIDS FOR SEPARATION OF OLEFIN-PARAFFIN MIXTURES UT-BATTELLE, LLC (US) 2013-12-19 US disclosed
US-8535560-B2 Ionic liquids for separation of olefin-paraffin mixtures UT-BATTELLE, LLC (US) 2013-09-17 US disclosed
US-20120178765-A1 NOVEL GLUCOKINASE ACTIVATORS AND PROCESSES FOR THE PREPARATION THEREOF YUHAN CORPORATION (KR) 2012-07-12 US disclosed
EP-2423192-A1 METAL COMPLEX HAVING AROMATIC LIGAND THAT CONTAINS NITROGEN ATOM Sumitomo Chemical Company, Limited (JP) 2012-02-29 EP disclosed
WO-2011008664-A2 IONIC LIQUIDS FOR SEPARATION OF OLEFIN-PARAFFIN MIXTURES UT-BATTELLE, LLC (US) 2011-01-20 WO disclosed
US-20110015461-A1 Ionic Liquids for Separation of Olefin-Paraffin Mixtures UT-BATTELLE, LLC (US) 2011-01-20 US disclosed
US-7776989-B2 UV-light-absorbing quaternary polysiloxanes EVONIK GOLDSCHMIDT GMBH (DE) 2010-08-17 US disclosed
US-7776989-B2 UV-light-absorbing quaternary polysiloxanes EVONIK GOLDSCHMIDT GMBH (DE) 2010-08-17 US 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 (9 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-20130338389-A1 IONIC LIQUIDS FOR SEPARATION OF OLEFIN-PARAFFIN MIXTURES POU2F1, POU2F2, POF1B TPMT 2092/4885MMP13 4501/4885HDAC8 4845/4885
US-20240092746-A1 OPIOID RECEPTOR MODULATORS OPRM1, OPRK1, OPRL1 TPMT 931/4885MMP13 3560/4885HDAC8 1258/4885
US-12168648-B2 Opioid receptor modulators OPRM1, OPRK1, OPRL1 TPMT 931/4885MMP13 3560/4885HDAC8 1258/4885
US-20120178765-A1 NOVEL GLUCOKINASE ACTIVATORS AND PROCESSES FOR THE PREPARATION THEREOF GCK, GCKR, HK1 TPMT 3769/4885MMP13 2006/4885HDAC8 632/4885
US-10919859-B2 Benzylaminopyridylcyclopropanecarboxylic acids, pharmaceutical compositions and uses thereof GPR119, GPR65, GPR52 TPMT 2988/4885MMP13 2865/4885HDAC8 3843/4885
US-10793530-B2 Benzylaminopyrazinylcyclopropanecarboxylic acids, pharmaceutical compositions and uses thereof GPR119, GPR65, GPR52 TPMT 3097/4885MMP13 2978/4885HDAC8 3058/4885
US-20150174130-A1 COMPOSITIONS AND METHODS FOR TREATING MICROBIAL INFECTIONS HMOX1, HMOX2, HMBS TPMT 1549/4885MMP13 1807/4885HDAC8 1284/4885
US-10788499-B2 Methods for assaying palmitoyl protein thioesterase 1 and tripeptidyl peptidase activity in dried blood spots for detection of neuronal ceroid lipofuscinoses in newborns PPT1, TPP1, SPTLC1 TPMT 2778/4885MMP13 1239/4885HDAC8 1798/4885
US-20110015461-A1 Ionic Liquids for Separation of Olefin-Paraffin Mixtures POU2F1, POU2F2, POF1B TPMT 2092/4885MMP13 4501/4885HDAC8 4845/4885

“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.