SCHEMBL3106923

SCHEMBL3106923

CC(C)(C)OC(=O)C1(c2ccccc2)CCN(C(=O)O)CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.53
ALOX15 P16050 1/20 0.53
ATM Q13315 1/20 0.53
OPRM1 P35372 7/20 0.50
OPRD1 P41143 6/20 0.50
OPRK1 P41145 6/20 0.50
SLC22A1 O15245 1/20 0.50
SLC6A4 P31645 1/20 0.50
ADRA1A P35348 1/20 0.50
KCNH2 Q12809 1/20 0.50
KMT2A Q03164 2/20 0.47
HSD11B1 P28845 2/20 0.47
MEN1 O00255 1/20 0.47
RAB9A P51151 1/20 0.47
TET3 O43151 1/20 0.46
FBXL19 Q6PCT2 1/20 0.46
CXXC5 Q7LFL8 1/20 0.46
TET1 Q8NFU7 1/20 0.46
KDM2B Q8NHM5 1/20 0.46
CXXC4 Q9H2H0 1/20 0.46

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
SCHEMBL3104298 0.88 OPRM1 (0.50) TSHRALOX15ATMOPRM1OPRD1
SCHEMBL654814 0.88 OPRM1 (0.50) TSHRALOX15ATMOPRM1KMT2A
SCHEMBL2924676 0.86 OPRM1 (0.54) TSHRALOX15ATMOPRM1OPRD1
SCHEMBL4669195 0.86 OPRM1 (0.50) TSHRALOX15ATMOPRM1OPRD1
SCHEMBL18260026 0.85 TSHR (0.44) TSHRALOX15ATMOPRM1OPRD1
SCHEMBL4357499 0.84 TSHR (0.42) TSHRALOX15ATMOPRM1OPRD1
SCHEMBL6161497 0.82 TSHR (0.51) TSHRALOX15ATMOPRM1OPRD1
SCHEMBL971790 0.82 TSHR (0.65) TSHRALOX15ATMOPRM1OPRD1
SCHEMBL349139 0.82 NPSR1 (0.47) TSHRKMT2AMEN1
SCHEMBL2374489 0.80 TACR1 (0.47) TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12178809-B2 Pyridinyl sulfonamide derivatives, pharmaceutical compositions and uses thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2024-12-31 US disclosed
CN-112955215-B Pyridylsulfonamide derivatives, pharmaceutical compositions and uses thereof 勃林格殷格翰国际有限公司 2024-05-17 CN disclosed
EP-3873600-B9 PYRIDINYL SULFONAMIDE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF BOEHRINGER INGELHEIM INT (DE) 2024-02-14 EP disclosed
EP-3873600-B1 PYRIDINYL SULFONAMIDE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF BOEHRINGER INGELHEIM INT (DE) 2023-09-20 EP disclosed
US-20210361637-A1 PYRIDINYL SULFONAMIDE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2021-11-25 US disclosed
CN-112955215-A Pyridylsulfonamide derivatives, pharmaceutical compositions and uses thereof 勃林格殷格翰国际有限公司 2021-06-11 CN disclosed
US-8324250-B2 Piperidine derivatives as NK3 receptor antagonists HOFFMANN-LA ROCHE INC. (US) 2012-12-04 US disclosed
US-20100256126-A1 PIPERIDINE DERIVATIVES AS NK3 RECEPTOR ANTAGONISTS HOFFMANN-LA ROCHE, INC. 2010-10-07 US disclosed
US-20090069340-A1 Pyrazolone Compounds As Metabotropic Glutamate Receptor Agonists For The Treatment Of Neurological And Psychiatric Disorders ASTRAZENECA AB (SE) 2009-03-12 US disclosed
US-20070225331-A1 4,4-Disubstituted piperidines, and methods of use thereof SEPRACOR INC. (US) 2007-09-27 US disclosed
EP-0828754-B1 DIPEPTIDES WHICH PROMOTE RELEASE OF GROWTH HORMONE PFIZER (US) 2005-02-02 EP disclosed
EP-1268449-A4 SUBSTITUTED PIPERIDINES AS MELANOCORTIN RECEPTOR AGONISTS MERCK & CO INC (US) 2004-09-15 EP disclosed
US-20040142974-A1 4,4-disubstituted piperidines, and methods of use thereof HOEMANN MICHAEL Z (US) 2004-07-22 US disclosed
US-6656953-B2 Ligands for receptors such as dopamine, serotonin, or norepinephrine transporters; broad uses claimed, such as pain reliever and antidepressant SEPRACOR INC. 2003-12-02 US disclosed
EP-1268449-A1 SUBSTITUTED PIPERIDINES AS MELANOCORTIN RECEPTOR AGONISTS Merck & Co., Inc. (US) 2003-01-02 EP disclosed
US-20020177607-A1 4,4-Disubstitued piperidines, and methods of use thereof SEPRACOR INC. 2002-11-28 US disclosed
WO-2002046156-A2 4,4-DISUBSTITUTED PIPERIDINES FOR USE AS DOPAMINE, SEROTONIN AND NOREPINEPHRINE LIGANDS SEPRACOR, INC. (US) 2002-06-13 WO disclosed
WO-2001070708-A1 SUBSTITUTED PIPERIDINES AS MELANOCORTIN RECEPTOR AGONISTS MERCK & CO., INC. (US) 2001-09-27 WO disclosed
US-5936089-A PIPERIDINE DERIVATIVES; BONE DISORDERS; OBESITY; AGING; CACHEXIA ASSOCIATED WITH AIDS AND CANCER PFIZER INC (US) 1999-08-10 US disclosed
WO-1996035713-A1 DIPEPTIDES WHICH PROMOTE RELEASE OF GROWTH HORMONE PFIZER, INC. (US) 1996-11-14 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 (7 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-20020177607-A1 4,4-Disubstitued piperidines, and methods of use thereof HTR2C, HTR5A, OPRL1 TSHR 1346/4885ALOX15 1870/4885ATM 3330/4885
US-20210361637-A1 PYRIDINYL SULFONAMIDE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF ARSA, SULT1A1, SULT2A1 TSHR 1733/4885ALOX15 2417/4885ATM 2934/4885
US-20070225331-A1 4,4-Disubstituted piperidines, and methods of use thereof HTR5A, HTR2C, OPRL1 TSHR 1025/4885ALOX15 1688/4885ATM 2891/4885
US-20100256126-A1 PIPERIDINE DERIVATIVES AS NK3 RECEPTOR ANTAGONISTS HTR3A, OPRL1, OPRK1 TSHR 895/4885ALOX15 3133/4885ATM 2243/4885
US-12178809-B2 Pyridinyl sulfonamide derivatives, pharmaceutical compositions and uses thereof ARSA, SULT1A1, SULT2A1 TSHR 1733/4885ALOX15 2417/4885ATM 2934/4885
US-20090069340-A1 Pyrazolone Compounds As Metabotropic Glutamate Receptor Agonists For The Treatment Of Neurological And Psychiatric Disorders GRIN1, GRM1, GRIN3A TSHR 240/4885ALOX15 2892/4885ATM 1561/4885
US-20040142974-A1 4,4-disubstituted piperidines, and methods of use thereof HTR5A, HTR2C, OPRL1 TSHR 1025/4885ALOX15 1688/4885ATM 2891/4885

“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.