SCHEMBL180997

SCHEMBL180997

CCOC(=O)CC1CCC(c2ccc(C(=O)CC)cc2)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 5/20 0.47
CYP2C9 P11712 1/20 0.47
ALDH1A1 P00352 3/20 0.45
MAPT P10636 3/20 0.45
LMNA P02545 1/20 0.45
JAK2 O60674 1/20 0.42
JAK1 P23458 1/20 0.42
TYK2 P29597 1/20 0.42
JAK3 P52333 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
ESR2 Q92731 1/20 0.40
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
MAPK1 P28482 1/20 0.39
HAO1 Q9UJM8 1/20 0.39
HPGD P15428 1/20 0.39
SOAT1 P35610 2/20 0.38
FAAH O00519 1/20 0.37
CHRM2 P08172 1/20 0.37
DGAT2 Q96PD7 1/20 0.37

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
SCHEMBL4485834 0.91 ALDH1A1 (0.47) DGAT1CYP2C9ALDH1A1MAPTLMNA
SCHEMBL4937649 0.91 ALDH1A1 (0.47) DGAT1CYP2C9ALDH1A1MAPTLMNA
SCHEMBL180698 0.90 DGAT1 (0.46) DGAT1CYP2C9ALDH1A1MAPTLMNA
SCHEMBL180806 0.88 CYP2C9 (0.48) DGAT1CYP2C9ALDH1A1MAPTLMNA
SCHEMBL602376 0.88 CYP2C9 (0.48) DGAT1CYP2C9ALDH1A1MAPTLMNA
SCHEMBL4343367 0.86 CYP2C9 (0.64) DGAT1CYP2C9ALDH1A1MAPTLMNA
SCHEMBL4345232 0.86 DGAT1 (0.47) DGAT1CYP2C9ALDH1A1MAPTLMNA
SCHEMBL16791007 0.86 DGAT1 (0.50) DGAT1CYP2C9ALDH1A1MAPTLMNA
SCHEMBL10188553 0.85 ESR2 (0.56) DGAT1CYP2C9ALDH1A1JAK2JAK1
SCHEMBL17327388 0.85 ESR2 (0.56) DGAT1CYP2C9ALDH1A1JAK2JAK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150065517-A1 NEW COMPOUNDS NOVARTIS AG (CH) 2015-03-05 US disclosed
US-8912208-B2 (4-{4-[5-(benzooxazol-2-ylamino)-pyridin-2-yl]-phenyl}-cyclohexyl)-acetic acid useful for treating or preventing conditions or disorders associated with DGAT1 activity NOVARTIS AG (CH) 2014-12-16 US disclosed
US-8835451-B2 Compounds NOVARTIS AG (CH) 2014-09-16 US disclosed
EP-2418202-B1 (4-[4-[5-(substituted amino)-pyridin-2-yl]phenyl]-cyclohexyl)-acetic acid derivatives as DGAT inhibitors NOVARTIS AG (CH) 2014-01-29 EP disclosed
US-20130018054-A1 NEW COMPOUNDS NOVARTIS AG (CH) 2013-01-17 US disclosed
US-20130018074-A1 NEW COMPOUNDS NOVARTIS AG (CH) 2013-01-17 US disclosed
EP-2418202-A1 New compounds Novartis AG (CH) 2012-02-15 EP disclosed
EP-2404905-A1 New compounds Novartis AG (CH) 2012-01-11 EP disclosed
EP-2402319-A1 DGAT Inhibitors Novartis AG (CH) 2012-01-04 EP disclosed
EP-2402320-A1 Anorectic agents Novartis AG (CH) 2012-01-04 EP disclosed
EP-2402318-A1 DGAT inhibitors Novartis AG (CH) 2012-01-04 EP disclosed
EP-2402317-A1 DGAT inhibitor Novartis AG (CH) 2012-01-04 EP disclosed
EP-2004607-B1 (4-(4-[6-(trifluoromethyl-pyridin-3-ylamino)-N-containing-heteroaryl]-phenyl)-cyclohexyl)-acetic acid derivatives and pharmaceutical uses thereof NOVARTIS AG (CH) 2011-10-19 EP disclosed
EP-2301923-A1 New compounds Novartis AG (CH) 2011-03-30 EP disclosed
US-20090247534-A1 NEW COMPOUNDS NOVARTIS AG (CH) 2009-10-01 US disclosed
EP-2004607-A2 NEW COMPOUNDS Novartis AG (CH) 2008-12-24 EP disclosed
WO-2007126957-A2 NEW COMPOUNDS NOVARTIS AG (CH) 2007-11-08 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-20150065517-A1 NEW COMPOUNDS DGAT1, DGAT2, GBA1 DGAT1 1/4885CYP2C9 4016/4885ALDH1A1 152/4885
US-20090247534-A1 NEW COMPOUNDS DGAT1, DGAT2, GBA1 DGAT1 1/4885CYP2C9 4016/4885ALDH1A1 152/4885
US-20130018054-A1 NEW COMPOUNDS DGAT1, DGAT2, GBA1 DGAT1 1/4885CYP2C9 3989/4885ALDH1A1 140/4885
US-20130018074-A1 NEW COMPOUNDS DGAT1, DGAT2, GBA1 DGAT1 1/4885CYP2C9 3989/4885ALDH1A1 140/4885

“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.