SCHEMBL180972

SCHEMBL180972

OC1(c2ccc(-c3ccc(Nc4ccc(C(F)(F)F)nc4)nc3)cc2)CCNCC1

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SYK P43405 3/20 0.40
ABL1 P00519 1/20 0.39
BCR P11274 1/20 0.39
APP P05067 1/20 0.39
DRD2 P14416 1/20 0.37
KCNH2 Q12809 1/20 0.36
DGAT1 O75907 1/20 0.35
MLNR O43193 1/20 0.35
CYP2D6 P10635 1/20 0.35

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
SCHEMBL180674 0.80 DGAT1 (0.41) SYKKCNH2DGAT1
SCHEMBL182490 0.79 APP (0.51) ABL1BCRAPPKCNH2DGAT1
Hydrochloric Acid SCHEMBL181048 0.78 APP (0.50) ABL1BCRAPPKCNH2DGAT1
SCHEMBL13646232 0.78 DRD2 (0.47) DRD2KCNH2
SCHEMBL27758112 0.77 FPR2 (0.37) SYKDGAT1
SCHEMBL181163 0.76 ABL1 (0.37) SYKABL1BCRDGAT1
SCHEMBL27758110 0.76 AR (0.38) ABL1BCRDRD2DGAT1
Tert-Butyl Formate SCHEMBL27758111 0.71 DGAT1 (0.45) APPKCNH2DGAT1
SCHEMBL180746 0.69 DGAT1 (0.56) SYKABL1BCRDGAT1
SCHEMBL13664068 0.68 DGAT1 (0.35) SYKABL1BCRDGAT1MLNR

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
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
CN-103288721-A (4-(4-[6-(trifluoromethyl-pyridin-3-ylamino)-n-containing-heteroaryl]-phenyl)-cyclohexyl)-acetic acid derivatives and pharmaceutical uses thereof NOVARTIS AG 2013-09-11 CN disclosed
CN-101415683-B Novel compounds NOVARTIS AG 2013-07-17 CN disclosed
CN-103086981-A New compounds NOVARTIS AG 2013-05-08 CN disclosed
US-20130018074-A1 NEW COMPOUNDS NOVARTIS AG (CH) 2013-01-17 US disclosed
US-20130018054-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-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
CN-101415683-A Novel compounds NOVARTIS AG (CH) 2009-04-22 CN 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 SYK 4884/4885ABL1 3908/4885BCR 2341/4885
US-20090247534-A1 NEW COMPOUNDS DGAT1, DGAT2, GBA1 SYK 4884/4885ABL1 3908/4885BCR 2341/4885
US-20130018054-A1 NEW COMPOUNDS DGAT1, DGAT2, GBA1 SYK 4884/4885ABL1 3870/4885BCR 2558/4885
US-20130018074-A1 NEW COMPOUNDS DGAT1, DGAT2, GBA1 SYK 4884/4885ABL1 3870/4885BCR 2558/4885

“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.