SCHEMBL90675

SCHEMBL90675

COCCCOC(=O)c1cnc(NC2CC2)cc1OCCCOC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.40
TYRO3 Q06418 2/20 0.39
MERTK Q12866 2/20 0.39
GAS6 Q14393 2/20 0.39
ADORA1 P30542 1/20 0.39
PDGFRB P09619 4/20 0.38
PDGFRA P16234 4/20 0.38
POLB P06746 1/20 0.37
HCAR3 P49019 1/20 0.36
NOS3 P29474 2/20 0.36
NOS1 P29475 2/20 0.36
NOS2 P35228 2/20 0.36
PDE10A Q9Y233 1/20 0.36
CHEK1 O14757 1/20 0.36
CHEK2 O96017 1/20 0.36
EGFR P00533 1/20 0.36
INSR P06213 1/20 0.36
LCK P06239 1/20 0.36
NMT2 O60551 1/20 0.35
NMT1 P30419 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
SCHEMBL7864023 0.90 ABL1 (0.37) TYRO3MERTKGAS6ADORA1PDGFRB
SCHEMBL90301 0.79 CCNK (0.41) PDGFRBPDGFRAPDE10AEGFRINSR
SCHEMBL90302 0.78 PDGFRB (0.38) PDGFRBPDGFRAHCAR3PDE10AEGFR
SCHEMBL7864002 0.77 PDGFRB (0.42) KMT2APDGFRBPDGFRAPOLBNOS3
SCHEMBL89338 0.77 REN (0.38) PDGFRBPDGFRAPDE10AEGFRINSR
SCHEMBL89349 0.76 CCNK (0.38) PDGFRBPDGFRAPDE10AEGFRINSR
SCHEMBL7858384 0.73 HCAR3 (0.38) KMT2AHCAR3PDE10APDE4B
SCHEMBL7866696 0.73 CYP3A4 (0.49) PDGFRBPDGFRAPOLBHCAR3NOS3
SCHEMBL15739752 0.71 HCAR3 (0.56) KMT2AHCAR3MAPK1MAPT
SCHEMBL89459 0.70 LMNA (0.40) TYRO3MERTKGAS6POLBFLT3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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 KMT2A 3129/4885TYRO3 914/4885MERTK 3469/4885

“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.