SCHEMBL4878609

SCHEMBL4878609

CCc1cc(C#N)ncn1

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KMO O15229 1/20 0.39
HRH4 Q9H3N8 1/20 0.36
CHEK1 O14757 1/20 0.33
GPR119 Q8TDV5 1/20 0.32
PDE9A O76083 1/20 0.32
CYP1A2 P05177 1/20 0.31
POLB P06746 1/20 0.31
CYP2A6 P11509 1/20 0.30
AAK1 Q2M2I8 1/20 0.30

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
SCHEMBL9070195 0.79 HRH4 (0.36) HRH4CYP1A2POLB
SCHEMBL24108440 0.79 KMO (0.39) KMO
SCHEMBL1767952 0.77 HRH4 (0.41) HRH4CYP1A2POLBAAK1
SCHEMBL3669699 0.77 KMO (0.48) KMOCHEK1GPR119
SCHEMBL27813848 0.73 EGLN1 (0.41) KMOGPR119
SCHEMBL1671388 0.71
SCHEMBL22644598 0.71 CHEK1 (0.42) KMOCHEK1CYP1A2
Dimethylamine SCHEMBL9053689 0.70 HRH4 (0.45) HRH4CYP1A2POLBAAK1
SCHEMBL23015845 0.70 MAP3K7 (0.38) HRH4CYP1A2POLB
SCHEMBL27339577 0.69 KMO (0.35) KMOCHEK1CYP1A2

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
WO-2017121647-A1 3-((HETERO-)ARYL)-8-AMINO-2-OXO-1,3-DIAZA-SPIRO-[4.5]-DECANE DERIVATIVES Grünenthal GmbH (DE) 2017-07-20 WO disclosed
US-20080132477-A1 Macrocyclic Compounds Useful as Bace Inhibitors NOVARTIS AG (CH) 2008-06-05 US disclosed
CN-101103008-A Macrocyclic compounds useful as bace inhibitors NOVARTIS AG (CH) 2008-01-09 CN disclosed
EP-1851208-A1 MACROCYCLIC COMPOUNDS USEFUL AS BACE INHIBITORS Novartis AG (CH) 2007-11-07 EP disclosed
WO-2006074950-A1 MACROCYCLIC COMPOUNDS USEFUL AS BACE INHIBITORS NOVARTIS AG (CH) 2006-07-20 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 (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-20080132477-A1 Macrocyclic Compounds Useful as Bace Inhibitors BACE1, BACE2, APP KMO 3255/4885HRH4 2854/4885CHEK1 3935/4885

“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.