SCHEMBL250522

SCHEMBL250522

CN(C)c1ccc(CC[O])cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.58
▸ TSHR P16473 4/20 0.58
▸ MAPK1 P28482 2/20 0.58
▸ CYP3A4 P08684 1/20 0.58
▸ TDP1 Q9NUW8 1/20 0.58
▸ HSD17B10 Q99714 2/20 0.52
▸ ALOX15 P16050 1/20 0.52
▸ CALM1 P0DP23 2/20 0.50
▸ CHKA P35790 3/20 0.47
▸ APP P05067 1/20 0.44
▸ CA12 O43570 1/20 0.44
▸ CA1 P00915 1/20 0.44
▸ CA2 P00918 1/20 0.44
▸ CA4 P22748 1/20 0.44
▸ CA9 Q16790 1/20 0.44
▸ HDAC1 Q13547 1/20 0.43
▸ HDAC6 Q9UBN7 1/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL4405018 0.85 ALDH1A1 (0.70) ALDH1A1TSHRMAPK1CYP3A4TDP1
SCHEMBL4473781 0.83 ALDH1A1 (0.61) ALDH1A1TSHRMAPK1CYP3A4TDP1
SCHEMBL7547741 0.81 ALDH1A1 (0.58) ALDH1A1TSHRMAPK1CYP3A4TDP1
SCHEMBL7054521 0.80 ALDH1A1 (0.64) ALDH1A1TSHRMAPK1CYP3A4TDP1
SCHEMBL6310153 0.80 ALDH1A1 (0.64) ALDH1A1TSHRMAPK1CYP3A4TDP1
SCHEMBL13291025 0.79 APP (0.61) ALDH1A1TSHRMAPK1CYP3A4TDP1
SCHEMBL10540891 0.79 GFER (0.42) ALDH1A1HSD17B10ALOX15CA12CA1
SCHEMBL171763 0.78 ALDH1A1 (0.61) ALDH1A1TSHRMAPK1CYP3A4TDP1
SCHEMBL4475565 0.77 ALDH1A1 (0.54) ALDH1A1TSHRMAPK1CYP3A4TDP1
SCHEMBL11252248 0.77 AOC3 (0.53) ALDH1A1TSHRMAPK1CYP3A4TDP1

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-8497397-B2 Substituted acrylamide derivative and pharmaceutical composition comprising the same DAIICHI SANKYO COMPANY, LIMITED (JP) 2013-07-30 — — US claimed
EP-1880720-B1 SUBSTITUTED ACRYLAMIDE DERIVATIVE AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME DAIICHI SANKYO CO LTD (JP) 2013-02-13 — — EP claimed
US-20120220593-A1 Substituted Acrylamide Derivative and Pharmaceutical Composition Comprising the Same DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-08-30 — — US claimed
EP-1339663-B1 NAPHTHALENE DERIVATIVES NOVARTIS AG (CH) 2012-01-04 — — EP claimed
US-20090118199-A1 SUBSTITUTED ACRYLAMIDE DERIVATIVE AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME DAIICHI SANKYO COMPANY , LIMITED (JP) 2009-05-07 — — US claimed
EP-1880720-A1 SUBSTITUTED ACRYLAMIDE DERIVATIVE AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME Daiichi Sankyo Company, Limited (JP) 2008-01-23 — — EP claimed
US-8497397-B2 Substituted acrylamide derivative and pharmaceutical composition comprising the same DAIICHI SANKYO COMPANY, LIMITED (JP) 2013-07-30 — — US disclosed
EP-1880720-B1 SUBSTITUTED ACRYLAMIDE DERIVATIVE AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME DAIICHI SANKYO CO LTD (JP) 2013-02-13 — — EP disclosed
CN-102782056-A Nitric oxide-releasing coatings NOVAN INC 2012-11-14 — — CN disclosed
US-20120220593-A1 Substituted Acrylamide Derivative and Pharmaceutical Composition Comprising the Same DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-08-30 — — US disclosed
US-8143446-B2 Substituted acrylamide derivative and pharmaceutical composition comprising the same DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-03-27 — — US disclosed
EP-1339663-B1 NAPHTHALENE DERIVATIVES NOVARTIS AG (CH) 2012-01-04 — — EP disclosed
EP-2338886-A2 Naphthalene derivatives Novartis AG (CH) 2011-06-29 — — EP disclosed
EP-1622870-A2 GLUTAMINYL BASED DP IV-INHIBITORS Prosidion Ltd. (GB) 2006-02-08 — — EP disclosed
WO-2005058292-A1 NEW USE IN GASTROINTESTINAL DISORDERS ASTRAZENECA AB (SE) 2005-06-30 — — WO disclosed
WO-2004099134-A2 GLUTAMINYL BASED DP IV-INHIBITORS PROSIDION LTD. (GB) 2004-11-18 — — WO disclosed
US-20040229848-A1 Glutaminyl based DP IV-inhibitors PROSIDION LIMITED (GB) 2004-11-18 — — US disclosed
US-20040053890-A1 Naphthalene derivatives NOVARTIS AG (CH) 2004-03-18 — — US disclosed
EP-1339663-A2 NAPHTHALENE DERIVATIVES Novartis AG (CH) 2003-09-03 — — EP disclosed
WO-2002042248-A2 NAPHTHALENE DERIVATIVES NOVARTIS AG (CH) 2002-05-30 — — 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-20040229848-A1 Glutaminyl based DP IV-inhibitors DPP4, DPP3, DNPEP ALDH1A1 1262/4885TSHR 4591/4885MAPK1 4222/4885
US-20090118199-A1 SUBSTITUTED ACRYLAMIDE DERIVATIVE AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME ACR, NAT1, C1S ALDH1A1 75/4885TSHR 2046/4885MAPK1 1318/4885
US-20040053890-A1 Naphthalene derivatives CYP1A1, SULT1E1, CYP2F1 ALDH1A1 251/4885TSHR 2664/4885MAPK1 3112/4885
US-20120220593-A1 Substituted Acrylamide Derivative and Pharmaceutical Composition Comprising the Same ACR, NAT1, C1S ALDH1A1 75/4885TSHR 2046/4885MAPK1 1318/4885

“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.

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