SCHEMBL84736

SCHEMBL84736

CCOC(=O)CC(N)C(F)F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.44
MGAM O43451 1/20 0.44
SI P14410 1/20 0.44
MGAM2 Q2M2H8 1/20 0.44
ALDH1A1 P00352 7/20 0.41
TRPA1 O75762 1/20 0.41
CYP1A2 P05177 1/20 0.41
ALOX15 P16050 3/20 0.39
CYP3A4 P08684 2/20 0.39
TSHR P16473 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
HSD17B10 Q99714 2/20 0.38
CHRM1 P11229 1/20 0.38
ADORA1 P30542 1/20 0.38
KDM4E B2RXH2 1/20 0.37
HTT P42858 1/20 0.37
LMNA P02545 1/20 0.36
SOAT1 P35610 1/20 0.34
CYP2D6 P10635 1/20 0.34
F2 P00734 1/20 0.33

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 SCHEMBL11203332 0.98 GAA (0.43) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL7400823 0.83
SCHEMBL333919 0.81 GAA (0.46) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL11230225 0.80 CYP1A2 (0.47) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL11543413 0.79 MGAM (0.44) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL11543419 0.79 MGAM (0.44) GAAMGAMSIMGAM2ALDH1A1
Hydrochloric Acid SCHEMBL333918 0.79 GAA (0.44) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL29257536 0.78 GAA (0.48) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL973553 0.78
SCHEMBL2582072 0.78 GAA (0.52) GAAMGAMSIMGAM2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230365533-A1 BICYCLOHEPTANE PYRROLIDINE OREXIN RECEPTOR AGONISTS MERCK SHARP & DOHME LLC (US) 2023-11-16 US disclosed
US-20230365533-A1 BICYCLOHEPTANE PYRROLIDINE OREXIN RECEPTOR AGONISTS MERCK SHARP & DOHME LLC (US) 2023-11-16 US disclosed
EP-4200295-A1 BICYCLOHEPTANE PYRROLIDINE OREXIN RECEPTOR AGONISTS Merck Sharp & Dohme LLC (US) 2023-06-28 EP disclosed
US-11680060-B2 Bicycloheptane pyrrolidine orexin receptor agonists MERCK SHARP & DOHME LLC (US) 2023-06-20 US disclosed
US-11680060-B2 Bicycloheptane pyrrolidine orexin receptor agonists MERCK SHARP & DOHME LLC (US) 2023-06-20 US disclosed
CN-116249697-A Bicycloheptane pyrrolidine orexin receptor agonists 默沙东有限责任公司 2023-06-09 CN disclosed
WO-2022040070-A1 BICYCLOHEPTANE PYRROLIDINE OREXIN RECEPTOR AGONISTS MERCK SHARP & DOHME CORP. (US) 2022-02-24 WO disclosed
US-20220056017-A1 BICYCLOHEPTANE PYRROLIDINE OREXIN RECEPTOR AGONISTS MERCK SHARP & DOHME CORP. (US) 2022-02-24 US disclosed
EP-2091926-B1 SUBSTITUTED PYRAZOLE AND TRIAZOLE COMPOUNDS AS KSP INHIBITORS NOVARTIS AG (CH) 2015-10-21 EP disclosed
US-8129358-B2 Substituted pyrazole and triazole compounds as KSP inhibitors NOVARTIS AG (CH) 2012-03-06 US disclosed
US-20100034813-A1 SUBSTITUTED PYRAZOLE AND TRIAZOLE COMPOUNDS AS KSP INHIBITORS NOVARTIS AG (CH) 2010-02-11 US disclosed
US-20080200462-A1 SUBSTITUTED PYRAZOLE AND TRIAZOLE COMPOUNDS AS KSP INHIBITORS NOVARTIS AG 2008-08-21 US disclosed
US-20080200462-A1 SUBSTITUTED PYRAZOLE AND TRIAZOLE COMPOUNDS AS KSP INHIBITORS NOVARTIS AG 2008-08-21 US disclosed
WO-2008063912-A1 SUBSTITUTED PYRAZOLE AND TRIAZOLE COMPOUNDS AS KSP INHIBITORS NOVARTIS AG (CH) 2008-05-29 WO disclosed
EP-0046712-B1 FLUORINATED DIAMINOBUTANE DERIVATIVES MERRELL TORAUDE ET COMPAGNIE (FR) 1985-02-06 EP disclosed
US-4435425-A INHIBITORS OF GAMMA-AMINOBUTYRIC ACID TRANSAMINASE MERRELL TORAUDE ET COMPAGNIE (FR) 1984-03-06 US disclosed
EP-0024965-B1 FLUORINATED METHYL BETA-ALANINE DERIVATIVES, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM MERRELL TORAUDE ET COMPAGNIE (FR) 1983-04-27 EP disclosed
US-4375477-A ENZYME INHIBITORS MERRELL TORAUDE ET COMPAGNIE (FR) 1983-03-01 US disclosed
EP-0046712-A1 Fluorinated diaminobutane derivatives MERRELL TORAUDE ET COMPAGNIE (FR) 1982-03-03 EP disclosed
EP-0024965-A1 Fluorinated methyl beta-alanine derivatives, their preparation and pharmaceutical compositions containing them MERRELL TORAUDE ET COMPAGNIE (FR) 1981-03-11 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 (5 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-20230365533-A1 BICYCLOHEPTANE PYRROLIDINE OREXIN RECEPTOR AGONISTS HCRTR1, HCRTR2, CRHR1 GAA 3466/4885MGAM 4821/4885SI 3534/4885
US-20100034813-A1 SUBSTITUTED PYRAZOLE AND TRIAZOLE COMPOUNDS AS KSP INHIBITORS CYP3A43, ABCG2, CYP3A7 GAA 676/4885MGAM 2393/4885SI 496/4885
US-20080200462-A1 SUBSTITUTED PYRAZOLE AND TRIAZOLE COMPOUNDS AS KSP INHIBITORS CYP3A43, ABCG2, CYP3A7 GAA 676/4885MGAM 2393/4885SI 496/4885
US-11680060-B2 Bicycloheptane pyrrolidine orexin receptor agonists HCRTR1, HCRTR2, CRHR1 GAA 3350/4885MGAM 4778/4885SI 3644/4885
US-20220056017-A1 BICYCLOHEPTANE PYRROLIDINE OREXIN RECEPTOR AGONISTS HCRTR1, HCRTR2, CRHR1 GAA 3350/4885MGAM 4778/4885SI 3644/4885

“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.