SCHEMBL531544

SCHEMBL531544

Cc1ccc(C[C@H](N)CO)cc1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 4/20 0.47
EPHX1 P07099 1/20 0.44
TAAR1 Q96RJ0 4/20 0.43
SLC6A2 P23975 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2A6 P11509 1/20 0.43
AGXT P21549 2/20 0.41
IDO1 P14902 2/20 0.41
ANPEP P15144 2/20 0.40
ENPEP Q07075 2/20 0.40

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
SCHEMBL7991881 1.00 SLC6A4 (0.47) SLC6A4EPHX1TAAR1SLC6A2CYP1A2
SCHEMBL21676634 1.00 SLC6A4 (0.47) SLC6A4EPHX1TAAR1SLC6A2CYP1A2
SCHEMBL11068499 0.88 SLC6A4 (0.58) SLC6A4EPHX1TAAR1CYP1A2CYP2A6
SCHEMBL31166260 0.82 SLC6A4 (0.62) SLC6A4EPHX1TAAR1CYP1A2CYP2A6
SCHEMBL9922125 0.82 TAAR1 (0.48) SLC6A4EPHX1TAAR1CYP1A2CYP2A6
SCHEMBL28789467 0.82 TAAR1 (0.48) SLC6A4EPHX1TAAR1CYP1A2CYP2A6
SCHEMBL13323447 0.82 SLC6A4 (0.62) SLC6A4EPHX1TAAR1CYP1A2CYP2A6
SCHEMBL3127917 0.80 SLC6A4 (0.45) SLC6A4EPHX1TAAR1SLC6A2CYP1A2
SCHEMBL19062573 0.80 SLC6A4 (0.45) SLC6A4EPHX1TAAR1CYP1A2CYP2A6
SCHEMBL21887998 0.79 MMP2 (0.44) SLC6A4EPHX1TAAR1SLC6A2CYP1A2

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-20240174685-A1 OX2R Compounds BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2024-05-30 US disclosed
US-11905297-B2 OX2R compounds BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2024-02-20 US disclosed
US-20230348516-A1 YKL-40 INHIBITORS AND THEIR THERAPEUTIC APPLICATIONS MOLECURE S.A. (PL) 2023-11-02 US disclosed
US-11638707-B2 Substituted amino triazoles useful as chitinase inhibitors MOLECURE S.A. (PL) 2023-05-02 US disclosed
US-20230122024-A1 OX2R Compounds BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2023-04-20 US disclosed
US-11479560-B2 OX2R compounds BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2022-10-25 US disclosed
US-11472813-B2 OX2R compounds BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2022-10-18 US disclosed
US-20210163494-A1 OX2R Compounds BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2021-06-03 US disclosed
US-20210107914-A1 OX2R Compounds BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2021-04-15 US disclosed
EP-3773566-A1 OX2R COMPOUNDS Board of Regents, The University of Texas System (US) 2021-02-17 EP disclosed
US-8735435-B2 CETP inhibitors MERCK SHARP & DOHME CORP. (US) 2014-05-27 US disclosed
EP-1765793-B1 ANACETRAPIB AND OTHER CETP INHIBITPRS MERCK SHARP & DOHME (US) 2012-09-26 EP disclosed
EP-2415759-A1 CETP inhibitors Merck Sharp & Dohme Corporation (US) 2012-02-08 EP disclosed
US-20120015909-A1 MAO-B INHIBITORS USEFUL FOR TREATING OBESITY JENRIN DISCOVERY (US) 2012-01-19 US disclosed
US-20100099716-A1 CETP INHIBITORS MERCK SHARP & DOHME LLC 2010-04-22 US disclosed
US-7652049-B2 1-benzyl-4-[4'-fluoro-5'-isopropyl-2'-methoxy-4-(trifluoromethyl)biphenyl-2-yl]imidazolidin-2-one; cholesteryl ester transfer protein inhibitor; raising HDL-cholesterol, reducing LDL-cholesterol; atherosclerosis; antiinflammatory agent; synergistic mixture with other active ingredients MERCK & CO., INC. (US) 2010-01-26 US disclosed
US-20080119476-A1 Cetp Inhibitors ALI AMJAD 2008-05-22 US disclosed
EP-1765793-A1 CETP INHIBITORS Merck and Co., Inc. (US) 2007-03-28 EP disclosed
US-20060040999-A1 CETP inhibitors MERCK SHARP & DOHME LLC 2006-02-23 US disclosed
WO-2006014413-A1 CETP INHIBITORS MERCK & CO., INC. (US) 2006-02-09 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 (13 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-20120015909-A1 MAO-B INHIBITORS USEFUL FOR TREATING OBESITY MAOB, MAOA, GPR119 SLC6A4 467/4885EPHX1 629/4885TAAR1 195/4885
US-20060040999-A1 CETP inhibitors CETP, APOB, MTTP SLC6A4 4659/4885EPHX1 869/4885TAAR1 2358/4885
US-11479560-B2 OX2R compounds HCRTR2, HCRTR1, OXTR SLC6A4 2627/4885EPHX1 2125/4885TAAR1 187/4885
US-11905297-B2 OX2R compounds HCRTR2, HCRTR1, OXTR SLC6A4 2627/4885EPHX1 2125/4885TAAR1 187/4885
US-20240174685-A1 OX2R Compounds HCRTR2, HCRTR1, OXTR SLC6A4 2627/4885EPHX1 2125/4885TAAR1 187/4885
US-20230348516-A1 YKL-40 INHIBITORS AND THEIR THERAPEUTIC APPLICATIONS CHI3L1, CHI3L2, CHIA SLC6A4 4724/4885EPHX1 2668/4885TAAR1 4382/4885
US-20080119476-A1 Cetp Inhibitors CETP, APOB, MTTP SLC6A4 4659/4885EPHX1 869/4885TAAR1 2358/4885
US-20210107914-A1 OX2R Compounds HCRTR2, HCRTR1, OXTR SLC6A4 2627/4885EPHX1 2125/4885TAAR1 187/4885
US-20230122024-A1 OX2R Compounds HCRTR2, HCRTR1, OXTR SLC6A4 2627/4885EPHX1 2125/4885TAAR1 187/4885
US-11472813-B2 OX2R compounds HCRTR2, HCRTR1, OXTR SLC6A4 2627/4885EPHX1 2125/4885TAAR1 187/4885
US-11638707-B2 Substituted amino triazoles useful as chitinase inhibitors CHIT1, CHIA, CHI3L1 SLC6A4 3932/4885EPHX1 1072/4885TAAR1 1789/4885
US-20100099716-A1 CETP INHIBITORS CETP, APOB, MTTP SLC6A4 4659/4885EPHX1 869/4885TAAR1 2358/4885
US-20210163494-A1 OX2R Compounds HCRTR2, HCRTR1, OXTR SLC6A4 2627/4885EPHX1 2125/4885TAAR1 187/4885

“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.