SCHEMBL4614360

SCHEMBL4614360

Cc1ccc(C)n1-c1ccc([C@@H](O)CN)cn1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.45
ALDH1A1 P00352 2/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
TAAR1 Q96RJ0 3/20 0.42
NFKB1 P19838 3/20 0.42
TSHR P16473 2/20 0.42
HIF1A Q16665 2/20 0.42
HTR3A P46098 1/20 0.42
TDP1 Q9NUW8 5/20 0.41
APEX1 P27695 3/20 0.41
ALOX15 P16050 1/20 0.41
BLM P54132 5/20 0.39
MAPT P10636 4/20 0.39
RECQL P46063 4/20 0.39
HPGD P15428 3/20 0.39
LMNA P02545 3/20 0.39
ADRB3 P13945 3/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
MAPK1 P28482 2/20 0.39

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
SCHEMBL5727824 1.00 KDM4E (0.45) KDM4EALDH1A1L3MBTL1TAAR1NFKB1
Hydrochloric Acid SCHEMBL8126191 0.98 KDM4E (0.44) KDM4EALDH1A1L3MBTL1TAAR1NFKB1
Hydrochloric Acid SCHEMBL4677792 0.98 KDM4E (0.44) KDM4EALDH1A1L3MBTL1TAAR1NFKB1
SCHEMBL2086312 0.87 KDM4E (0.45) KDM4EALDH1A1L3MBTL1TDP1MAPT
SCHEMBL4670075 0.86 KDM4E (0.44) KDM4EALDH1A1L3MBTL1TDP1MAPT
SCHEMBL22533708 0.86 KDM4E (0.44) KDM4EALDH1A1L3MBTL1TDP1MAPT
SCHEMBL4670521 0.86 KDM4E (0.44) KDM4EALDH1A1L3MBTL1TDP1MAPT
SCHEMBL4670053 0.85 AOC3 (0.44) KDM4EALDH1A1L3MBTL1TAAR1HIF1A
SCHEMBL2083301 0.79 ALDH1A1 (0.38) KDM4EALDH1A1L3MBTL1NFKB1TSHR
SCHEMBL4670104 0.78 KDM4E (0.43) KDM4EALDH1A1L3MBTL1TDP1APEX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1054881-B1 NOVEL SULFONAMIDE SUBSTITUTED CHROMAN DERIVATIVES USEFUL AS BETA-3 ADRENORECEPTOR AGONISTS BAYER CORP (US) 2008-07-30 EP disclosed
US-7375100-B2 2-amino-pyridine derivatives useful for the treatment of diseases PFIZER INC (US) 2008-05-20 US disclosed
US-7375100-B2 2-amino-pyridine derivatives useful for the treatment of diseases PFIZER INC (US) 2008-05-20 US disclosed
US-7375100-B2 2-amino-pyridine derivatives useful for the treatment of diseases PFIZER INC (US) 2008-05-20 US disclosed
EP-1633714-B1 2-AMINO-PYRIDINE DERIVATIVES AS BETA-2 ADRENORECEPTOR AGONISTS PFIZER LTD (GB) 2008-01-23 EP disclosed
EP-1633714-B1 2-AMINO-PYRIDINE DERIVATIVES AS BETA-2 ADRENORECEPTOR AGONISTS PFIZER LTD (GB) 2008-01-23 EP disclosed
EP-1633715-B1 2-(6-AMINO-PYRIDIN-3-YL)-2-HYDROXYETHYLAMINE DERIVATIVES AS BETA 2-ADRENOCEPTORS AGONISTS PFIZER LTD (GB) 2007-09-05 EP disclosed
EP-1633715-B1 2-(6-AMINO-PYRIDIN-3-YL)-2-HYDROXYETHYLAMINE DERIVATIVES AS BETA 2-ADRENOCEPTORS AGONISTS PFIZER LTD (GB) 2007-09-05 EP disclosed
US-7067541-B2 2-amino-pyridine derivatives useful for the treatment of diseases PFIZER INC (US) 2006-06-27 US disclosed
EP-1633714-A1 2-AMINO-PYRIDINE DERIVATIVES AS BETA-2 ADRENORECEPTOR AGONISTS Pfizer Limited (GB) 2006-03-15 EP disclosed
EP-1633715-A1 2-(6-AMINO-PYRIDIN-3-YL)-2-HYDROXYETHYLAMINE DERIVATIVES AS BETA 2-ADRENOCEPTORS AGONISTS Pfizer Limited (GB) 2006-03-15 EP disclosed
US-6903218-B2 Sulfonamide substituted chroman derivatives BAYER PHARMACEUTICALS CORPORATION (US) 2005-06-07 US disclosed
US-20050014763-A1 2-Amino-pyridine derivatives useful for the treatment of diseases PFIZER INC 2005-01-20 US disclosed
US-20050004182-A1 2-Amino-pyridine derivatives useful for the treatment of diseases PFIZER INC 2005-01-06 US disclosed
WO-2004108676-A1 2-(6-AMINO-PYRIDIN-3-YL)-2-HYDROXYETHYLAMINE DERIVATIVES AS BETA 2-ADRENOCEPTORS AGONISTS PFIZER LIMITED (GB) 2004-12-16 WO disclosed
WO-2004108675-A1 2-AMINO-PYRIDINE DERIVATIVES AS BETA-2 ADRENORECEPTOR AGONISTS PFIZER LIMITED (GB) 2004-12-16 WO disclosed
US-20040072843-A1 Novel sulfonamide substituted chroman derivatives useful as beta 3 adrenoreceptor agonists LADOUCEUR GAETAN H (US) 2004-04-15 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 (3 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-20050014763-A1 2-Amino-pyridine derivatives useful for the treatment of diseases PAH, AADAT, IL4I1 KDM4E 1583/4885ALDH1A1 313/4885L3MBTL1 4476/4885
US-20050004182-A1 2-Amino-pyridine derivatives useful for the treatment of diseases PAH, AADAT, IL4I1 KDM4E 1583/4885ALDH1A1 313/4885L3MBTL1 4476/4885

“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.