SCHEMBL89959

SCHEMBL89959

COCCCOc1cc(NC2CC2)ccc1C(F)(F)F

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ULK1 O75385 1/20 0.44
ULK2 Q8IYT8 1/20 0.44
CNR2 P34972 8/20 0.41
UTS2R Q9UKP6 7/20 0.39
AR P10275 3/20 0.37
CNR1 P21554 4/20 0.37
KIT P10721 1/20 0.37
FLT3 P36888 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
SCHEMBL25039605 0.83 HTT (0.39) ULK1ULK2CNR2KITFLT3
SCHEMBL8236634 0.83 ALDH1A1 (0.34) ULK1ULK2
SCHEMBL90434 0.81 ROCK2 (0.38)
SCHEMBL25041894 0.81 HTT (0.39) ULK1ULK2CNR2KITFLT3
SCHEMBL89853 0.80 CYP2C9 (0.39) UTS2R
SCHEMBL89390 0.77 IRAK4 (0.38) AR
SCHEMBL25041778 0.77 BTK (0.37) ULK1ULK2CNR2KITFLT3
SCHEMBL31206137 0.77 BTK (0.37) ULK1ULK2CNR2KITFLT3
SCHEMBL25041790 0.76 HTT (0.37) CNR2KITFLT3
SCHEMBL30279135 0.76 HTT (0.37) CNR2KITFLT3

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-8178559-B2 Organic compounds NOVARTIS AG (CH) 2012-05-15 US disclosed
US-8178559-B2 Organic compounds NOVARTIS AG (CH) 2012-05-15 US disclosed
US-8129411-B2 Organic compounds NOVARTIS AG (CH) 2012-03-06 US disclosed
US-8129411-B2 Organic compounds NOVARTIS AG (CH) 2012-03-06 US disclosed
EP-2420491-A1 3 , 5-substitued piperidine compounds as renin inhibitors Novartis AG (CH) 2012-02-22 EP disclosed
US-8084450-B2 Organic compounds NOVARTIS AG (CH) 2011-12-27 US disclosed
US-8084450-B2 Organic compounds NOVARTIS AG (CH) 2011-12-27 US disclosed
US-20110263560-A1 Organic Compounds NOVARTIS AG (CH) 2011-10-27 US disclosed
US-20110263560-A1 Organic Compounds NOVARTIS AG (CH) 2011-10-27 US disclosed
EP-2177518-A1 Organic compounds Novartis AG (CH) 2010-04-21 EP disclosed
US-20090312304-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2009-12-17 US disclosed
US-20090312304-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2009-12-17 US disclosed
EP-1833816-B1 SUBSTITUTED PIPERIDINES AS RENIN INHIBITORS NOVARTIS AG (CH) 2009-11-11 EP disclosed
US-20090192148-A1 Organic Compounds NOVARTIS AG (CH) 2009-07-30 US disclosed
US-20090192148-A1 Organic Compounds NOVARTIS AG (CH) 2009-07-30 US disclosed
WO-2007077005-A1 3 , 5-SUBSTITΓUED PIPERIDINE COMPOUNDS AS RENIN INHIBITORS NOVARTIS AG (CH) 2007-07-12 WO disclosed
WO-2006069788-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2006-07-06 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-20090192148-A1 Organic Compounds REN, ACE, AGTR1 ULK1 4542/4885ULK2 4678/4885CNR2 1820/4885
US-20110263560-A1 Organic Compounds REN, ACE, OTC ULK1 4312/4885ULK2 4565/4885CNR2 2914/4885
US-20090312304-A1 ORGANIC COMPOUNDS REN, ACE, PIGO ULK1 3991/4885ULK2 4357/4885CNR2 2361/4885

“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.