SCHEMBL1003601

SCHEMBL1003601

O=C(O)C1(c2ccc(Cl)cc2)CC(F)C1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 1/20 0.47
TET3 O43151 1/20 0.47
KMT2A Q03164 1/20 0.47
FBXL19 Q6PCT2 1/20 0.47
CXXC5 Q7LFL8 1/20 0.47
KDM2B Q8NHM5 1/20 0.47
CXXC4 Q9H2H0 1/20 0.47
KDM2A Q9Y2K7 1/20 0.47
HSD11B1 P28845 9/20 0.44
MAOA P21397 2/20 0.43
MAOB P27338 2/20 0.43
AKR1C1 Q04828 2/20 0.43
KDM1A O60341 1/20 0.43
MAP4K4 O95819 1/20 0.42
CCR2 P41597 1/20 0.41
ALDH1A1 P00352 1/20 0.41
PTGS2 P35354 1/20 0.40
AKR1C3 P42330 1/20 0.40
AKR1C2 P52895 1/20 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
SCHEMBL12020396 1.00 HDAC4 (0.47) HDAC4TET3KMT2AFBXL19CXXC5
SCHEMBL349711 0.84 TET3 (0.48) HDAC4TET3KMT2AFBXL19CXXC5
SCHEMBL349710 0.84 TET3 (0.48) HDAC4TET3KMT2AFBXL19CXXC5
SCHEMBL14541574 0.84 TET3 (0.48) HDAC4TET3KMT2AFBXL19CXXC5
SCHEMBL12020374 0.83 HDAC4 (0.50) HDAC4HSD11B1MAOAMAOBKDM1A
SCHEMBL1003298 0.83 HDAC4 (0.50) HDAC4HSD11B1MAOAMAOBKDM1A
SCHEMBL25382284 0.82 AKR1C1 (0.43) HDAC4KMT2AMAOBAKR1C1ALDH1A1
SCHEMBL11481441 0.82 CCR2 (0.51) HDAC4TET3KMT2AFBXL19CXXC5
SCHEMBL25382548 0.81 TET3 (0.43) HDAC4TET3KMT2AFBXL19CXXC5
SCHEMBL14541572 0.81 HDAC4 (0.47) HDAC4HSD11B1ALDH1A1

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250388536-A1 3-ALKYNYL CARBOXAMIDES AS AEP MODULATORS HOFFMANN-LA ROCHE INC. (US) 2025-12-25 US disclosed
EP-4486444-A1 3-ALKYNYL CARBOXAMIDES AS AEP MODULATORS F. Hoffmann-La Roche AG (CH) 2025-01-08 EP disclosed
CN-118871422-A 3-Alkynyl carboxamides as AEP modulators 豪夫迈·罗氏有限公司 2024-10-29 CN disclosed
WO-2023165943-A1 3-ALKYNYL CARBOXAMIDES AS AEP MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2023-09-07 WO disclosed
EP-1532122-B1 11-beta-hydroxysteroid dehydrogenase 1 inhibitors useful for the treatment of diabetes, obesity and dyslipidemia MERCK SHARP & DOHME (US) 2011-12-14 EP disclosed
US-7875642-B2 3-[1-(4-Chlorophenyl)-trans-3-fluorocyclobutyl]-4,5-dicyclopropyl-r-4H-1,2,4-triazole anhydrate; Type 2 diabetes, hyperglycemia, obesity, dyslipidemia, hypertension, and cognitive impairment MERCK SHARP & DOHME CORP. (US) 2011-01-25 US disclosed
US-20090186928-A1 Novel crystalline forms of an inhibitor of 11-beta-hydroxysteroid dehydrogenase type 1 MERCK SHARP & DOHME LLC 2009-07-23 US disclosed
US-7179802-B2 11-beta-hydroxysteroid dehydrogenase 1 inhibitors useful for the treatment of diabetes, obesity and dyslipidemia MERCK & CO., INC. (US) 2007-02-20 US disclosed
US-20040106664-A1 11-Beta-hydroxysteroid dehydrogenase 1 inhibitors useful for the treatment of diabetes, obesity and dyslipidemia MERCK SHARP & DOHME LLC 2004-06-03 US disclosed
US-6730690-B2 DELAYING THE ONSET OR REDUCING THE RISK OF DEVELOPING ATHEROSCLEROSIS IN A HUMAN PATIENT COMPRISING ADMINISTERING TO SAID PATIENT AN EFFECTIVE AMOUNT OF A COMPOUND OF INVENTION AND AN HMG-COA REDUCTASE INHIBITOR MERCK & CO., INC. 2004-05-04 US disclosed
US-20040048912-A1 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 INHIBITORS USEFUL FOR THE TREATMENT OF DIABETES, OBESITY AND DYSLIPIDEMIA MERCK SHARP & DOHME LLC 2004-03-11 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 (4 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-20040048912-A1 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 INHIBITORS USEFUL FOR THE TREATMENT OF DIABETES, OBESITY AND DYSLIPIDEMIA HSD11B1, HSD17B1, HSD11B2 HDAC4 1252/4885TET3 4143/4885KMT2A 3350/4885
US-20040106664-A1 11-Beta-hydroxysteroid dehydrogenase 1 inhibitors useful for the treatment of diabetes, obesity and dyslipidemia HSD11B1, HSD11B2, HSD17B1 HDAC4 1567/4885TET3 4074/4885KMT2A 3572/4885
US-20250388536-A1 3-ALKYNYL CARBOXAMIDES AS AEP MODULATORS CNR2, CNR1, FAAH2 HDAC4 1844/4885TET3 4255/4885KMT2A 1448/4885
US-20090186928-A1 Novel crystalline forms of an inhibitor of 11-beta-hydroxysteroid dehydrogenase type 1 HSD11B1, HSD3B1, HSD11B2 HDAC4 857/4885TET3 4063/4885KMT2A 2749/4885

“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.