SCHEMBL171846

SCHEMBL171846

CC(=O)NCCOc1ccc(C)cc1

nearest known ligand 0.75

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 3/20 0.75
MTNR1B P49286 3/20 0.75
NPC1 O15118 3/20 0.71
MAPK1 P28482 2/20 0.71
HSD17B10 Q99714 2/20 0.71
USP2 O75604 1/20 0.71
ALOX15 P16050 1/20 0.71
TSHR P16473 1/20 0.71
ALDH1A1 P00352 2/20 0.67
L3MBTL1 Q9Y468 2/20 0.65
KMT2A Q03164 4/20 0.60
MEN1 O00255 3/20 0.60
POLB P06746 1/20 0.60
TP53 P04637 1/20 0.58
HPGD P15428 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
DRD2 P14416 1/20 0.58
DRD4 P21917 1/20 0.58
DRD3 P35462 1/20 0.58

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 SCHEMBL30832634 0.98 MTNR1A (0.73) MTNR1AMTNR1BNPC1MAPK1HSD17B10
SCHEMBL14410497 0.95 L3MBTL1 (0.73) MTNR1AMTNR1BNPC1MAPK1HSD17B10
SCHEMBL21595955 0.87 NPC1 (0.73) MTNR1AMTNR1BNPC1MAPK1HSD17B10
SCHEMBL807668 0.84 NPC1 (0.69) MTNR1AMTNR1BNPC1MAPK1HSD17B10
SCHEMBL15300802 0.84 MTNR1A (0.73) MTNR1AMTNR1BNPC1MAPK1HSD17B10
SCHEMBL10354336 0.84 MTNR1A (0.73) MTNR1AMTNR1BNPC1MAPK1HSD17B10
SCHEMBL5113209 0.84 MTNR1A (0.73) MTNR1AMTNR1BNPC1MAPK1HSD17B10
SCHEMBL885015 0.84 MTNR1A (1.00) MTNR1AMTNR1BNPC1MAPK1HSD17B10
SCHEMBL10389706 0.83 NPC1 (0.67) MTNR1AMTNR1BNPC1MAPK1HSD17B10
SCHEMBL12188632 0.83 TSHR (1.00) MTNR1AMTNR1BNPC1MAPK1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240092757-A1 HETEROARYL DIAMIDE IRE1/XBP1s ACTIVATORS THE SCRIPPS RESEARCH INSTITUTE 2024-03-21 US disclosed
US-20230346812-A1 METHODS FOR TREATING SARS COV-2 INFECTIONS GILEAD SCIENCES, INC. 2023-11-02 US disclosed
US-11660307-B2 Methods for treating SARS CoV-2 infections GILEAD SCIENCES, INC. (US) 2023-05-30 US disclosed
US-20230157996-A1 SMALL-MOLECULE INHIBITOR TARGETING EB VIRUS NUCLEAR ANTIGEN PROTEIN, PREPARATION METHOD AND USE THEREOF Shenzhen Bay Laboratory (CN) 2023-05-25 US disclosed
US-20170071964-A1 METHODS FOR TREATING ARENAVIRIDAE AND CORONAVIRIDAE VIRUS INFECTIONS GILEAD SCIENCES, INC. 2017-03-16 US disclosed
US-9365523-B2 Imidazolyl amide compounds and uses related thereto EMORY UNIVERSITY (US) 2016-06-14 US disclosed
US-9266834-B2 1, 4-disubstituted 3-cyano-pyridone derivatives and their use as positive allosteric modulators of MGLUR2-receptors Janssen Pharmaceuticals, Inc. (US) 2016-02-23 US disclosed
US-20140315903-A1 1, 4-Disubstituted 3-Cyano-Pyridone Derivatives and Their Use As Positive Allosteric Modulators of MGLUR2-Receptors JANSSEN PHARMACEUTICALS INC (US) 2014-10-23 US disclosed
US-8841323-B2 1, 4-disubstituted 3-cyano-pyridone derivatives and their use as positive allosteric modulators of MGLUR2-receptors Janssen Pharmaceuticals, Inc. (US) 2014-09-23 US disclosed
US-8841323-B2 1, 4-disubstituted 3-cyano-pyridone derivatives and their use as positive allosteric modulators of MGLUR2-receptors Janssen Pharmaceuticals, Inc. (US) 2014-09-23 US disclosed
US-8399493-B2 Pyridinone derivatives and their use as positive allosteric modulators of mGluR2-receptors Janssen Pharmaceuticals, Inc. (US) 2013-03-19 US disclosed
EP-2426125-A1 1,4 disubstituted 3 cyano pyridone derivatives and their use as positive allosteric modulators of mGluR2 receptors Ortho-McNeil-Janssen Pharmaceuticals, Inc. (US) 2012-03-07 EP disclosed
US-20120009142-A1 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2012-01-12 US disclosed
US-7973069-B2 Methods for treating hepatitis C PTC THERAPEUTICS, INC. (US) 2011-07-05 US disclosed
US-20100305100-A1 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2010-12-02 US disclosed
US-20100292187-A1 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2010-11-18 US disclosed
US-20100166655-A1 1, 4-DISUBSTITUTED 3-CYANO-PYRIDONE DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF MGLUR2-RECEPTORS JANSSEN PHARMACEUTICA N.V. (BE) 2010-07-01 US disclosed
US-20090247488-A1 ANTI-INFLAMMATORY PHOSPHONATE COMPOUNDS CANNIZZARO CARINA 2009-10-01 US disclosed
US-4851526-A ANTIARRYTHMIA, HYPOTENSIVE, ANTIISCHEMIC SCHERING A.G. (DE) 1989-07-25 US disclosed
EP-0306440-A2 1-(4-substituted phenyl)-1H-imidazoles as cardiovascular agents SCHERING AKTIENGESELLSCHAFT (DE) 1989-03-08 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 (11 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-20230157996-A1 SMALL-MOLECULE INHIBITOR TARGETING EB VIRUS NUCLEAR ANTIGEN PROTEIN, PREPARATION METHOD AND USE THEREOF SSB, EBNA1BP2, PML MTNR1A 3314/4885MTNR1B 3557/4885NPC1 1422/4885
US-20120009142-A1 METHODS FOR TREATING HEPATITIS C OAT, HAVCR2, HCCS MTNR1A 555/4885MTNR1B 489/4885NPC1 297/4885
US-20140315903-A1 1, 4-Disubstituted 3-Cyano-Pyridone Derivatives and Their Use As Positive Allosteric Modulators of MGLUR2-Receptors GRM2, GRM1, GRM3 MTNR1A 204/4885MTNR1B 207/4885NPC1 3202/4885
US-20100166655-A1 1, 4-DISUBSTITUTED 3-CYANO-PYRIDONE DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF MGLUR2-RECEPTORS GRM2, GRM1, GRM3 MTNR1A 202/4885MTNR1B 204/4885NPC1 3191/4885
US-20090247488-A1 ANTI-INFLAMMATORY PHOSPHONATE COMPOUNDS PHOSPHO1, TNF, PTGES MTNR1A 1361/4885MTNR1B 1080/4885NPC1 2610/4885
US-20100292187-A1 METHODS FOR TREATING HEPATITIS C HAVCR2, EIF2AK2, MAVS MTNR1A 2303/4885MTNR1B 2599/4885NPC1 87/4885
US-11660307-B2 Methods for treating SARS CoV-2 infections ACE2, ACE, PNP MTNR1A 2553/4885MTNR1B 2269/4885NPC1 184/4885
US-20240092757-A1 HETEROARYL DIAMIDE IRE1/XBP1s ACTIVATORS XBP1, HSPA5, DNAJC10 MTNR1A 3507/4885MTNR1B 3580/4885NPC1 509/4885
US-20170071964-A1 METHODS FOR TREATING ARENAVIRIDAE AND CORONAVIRIDAE VIRUS INFECTIONS ACE, PNP, ACE2 MTNR1A 4367/4885MTNR1B 4336/4885NPC1 232/4885
US-20100305100-A1 METHODS FOR TREATING HEPATITIS C HAVCR2, EIF2AK2, MAVS MTNR1A 2303/4885MTNR1B 2599/4885NPC1 87/4885
US-20230346812-A1 METHODS FOR TREATING SARS COV-2 INFECTIONS ACE2, ACE, PNP MTNR1A 2553/4885MTNR1B 2269/4885NPC1 184/4885

“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.