SCHEMBL4670521

SCHEMBL4670521

Cc1ccc(C)n1-c1ccc(C(O)CCl)cn1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.44
ALDH1A1 P00352 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
MEN1 O00255 1/20 0.33
LMNA P02545 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
HTT P42858 1/20 0.33
RECQL P46063 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HSD17B10 Q99714 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
KCNJ1 P48048 2/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C19 P33261 1/20 0.31

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
SCHEMBL22533708 1.00 KDM4E (0.44) KDM4EALDH1A1L3MBTL1MEN1LMNA
SCHEMBL4670075 1.00 KDM4E (0.44) KDM4EALDH1A1L3MBTL1MEN1LMNA
SCHEMBL4614360 0.86 KDM4E (0.45) KDM4EALDH1A1L3MBTL1MEN1LMNA
SCHEMBL5727824 0.86 KDM4E (0.45) KDM4EALDH1A1L3MBTL1MEN1LMNA
SCHEMBL2086312 0.86 KDM4E (0.45) KDM4EALDH1A1L3MBTL1MEN1LMNA
Hydrochloric Acid SCHEMBL8126191 0.84 KDM4E (0.44) KDM4EALDH1A1L3MBTL1MEN1LMNA
Hydrochloric Acid SCHEMBL4677792 0.84 KDM4E (0.44) KDM4EALDH1A1L3MBTL1MEN1LMNA
SCHEMBL27659401 0.81 ALDH1A1 (0.41) KDM4EALDH1A1L3MBTL1MEN1LMNA
SCHEMBL4670053 0.81 AOC3 (0.44) KDM4EALDH1A1L3MBTL1MEN1LMNA
SCHEMBL27659402 0.78 KDM4E (0.41) KDM4EALDH1A1L3MBTL1MEN1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12479838-B2 D3 receptor agonist compounds; methods of preparation; intermediates thereof; and methods of use thereof THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2025-11-25 US disclosed
US-20220220102-A1 D3 RECEPTOR AGONIST COMPOUNDS; METHODS OF PREPARATION; INTERMEDIATES THEREOF; AND METHODS OF USE THEREOF THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES 2022-07-14 US disclosed
EP-3953350-A1 D3 RECEPTOR AGONIST COMPOUNDS; METHODS OF PREPARATION; INTERMEDIATES THEREOF; AND METHODS OF USE THEREOF The United States of America, as Represented by The Department of Health and Human Services (US) 2022-02-16 EP disclosed
WO-2020210785-A1 D3 RECEPTOR AGONIST COMPOUNDS; METHODS OF PREPARATION; INTERMEDIATES THEREOF; AND METHODS OF USE THEREOF THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2020-10-15 WO disclosed
EP-1848709-B1 NOVEL SALT FORM OF A DOPAMINE AGONIST PFIZER LTD (GB) 2011-05-18 EP disclosed
US-7498329-B2 Salt form of dopamine agonist PFIZER INC. (US) 2009-03-03 US disclosed
US-7498329-B2 Salt form of dopamine agonist PFIZER INC. (US) 2009-03-03 US disclosed
EP-1054881-B1 NOVEL SULFONAMIDE SUBSTITUTED CHROMAN DERIVATIVES USEFUL AS BETA-3 ADRENORECEPTOR AGONISTS BAYER CORP (US) 2008-07-30 EP disclosed
EP-1054881-B1 NOVEL SULFONAMIDE SUBSTITUTED CHROMAN DERIVATIVES USEFUL AS BETA-3 ADRENORECEPTOR AGONISTS BAYER CORP (US) 2008-07-30 EP disclosed
US-6903218-B2 Sulfonamide substituted chroman derivatives BAYER PHARMACEUTICALS CORPORATION (US) 2005-06-07 US disclosed
US-20040072843-A1 Novel sulfonamide substituted chroman derivatives useful as beta 3 adrenoreceptor agonists LADOUCEUR GAETAN H (US) 2004-04-15 US disclosed
US-20030073839-A1 Compounds useful for preparation of Beta-3 adrenoreceptor agonist BAYER PHARMACEUTICALS CORPORATION 2003-04-17 US disclosed
EP-1054881-A1 NOVEL SULFONAMIDE SUBSTITUTED CHROMAN DERIVATIVES USEFUL AS BETA-3 ADRENORECEPTOR AGONISTS Bayer Corporation (US) 2000-11-29 EP disclosed
US-6051586-A HYPOGLYCEMIC AGENTS; ANTIDIABETIC AGENTS BAYER CORPORATION (US) 2000-04-18 US disclosed
WO-1999032475-A1 NOVEL SULFONAMIDE SUBSTITUTED CHROMAN DERIVATIVES USEFUL AS BETA-3 ADRENORECEPTOR AGONISTS BAYER CORPORATION (US) 1999-07-01 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 (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-20040072843-A1 Novel sulfonamide substituted chroman derivatives useful as beta 3 adrenoreceptor agonists ADRB3, ADRB2, ADRB1 KDM4E 4058/4885ALDH1A1 1908/4885L3MBTL1 4385/4885
US-20220220102-A1 D3 RECEPTOR AGONIST COMPOUNDS; METHODS OF PREPARATION; INTERMEDIATES THEREOF; AND METHODS OF USE THEREOF DRD3, ADRB3, VDR KDM4E 4472/4885ALDH1A1 2173/4885L3MBTL1 2037/4885
US-12479838-B2 D3 receptor agonist compounds; methods of preparation; intermediates thereof; and methods of use thereof DRD3, ADRB3, VDR KDM4E 4472/4885ALDH1A1 2173/4885L3MBTL1 2037/4885
US-20030073839-A1 Compounds useful for preparation of Beta-3 adrenoreceptor agonist ADRB3, ADRB2, ADRB1 KDM4E 4659/4885ALDH1A1 1879/4885L3MBTL1 4750/4885

“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.