SCHEMBL2806325

SCHEMBL2806325

CN1CCN(c2ncc3c(n2)CN(C(=O)OC(C)(C)C)C3)CC1

nearest known ligand 0.69

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.69
DDB1 Q16531 1/20 0.48
CRBN Q96SW2 1/20 0.48
HSP90AA1 P07900 1/20 0.47
PTPN11 Q06124 1/20 0.46
GPR119 Q8TDV5 8/20 0.45
ACHE P22303 1/20 0.43
TP53 P04637 1/20 0.42
LMNA P02545 1/20 0.42
POLB P06746 1/20 0.42
CKS1B P61024 1/20 0.42
SKP1 P63208 1/20 0.42
SKP2 Q13309 1/20 0.42
PIK3CA P42336 1/20 0.41
MTOR P42345 1/20 0.41
HSP90AB1 P08238 1/20 0.41

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
SCHEMBL2806500 0.82 HSP90AA1 (0.52) MAPTHSP90AA1TP53LMNAPOLB
SCHEMBL30405602 0.82 MAPT (1.00) MAPTGPR119TP53LMNAPOLB
SCHEMBL30363533 0.80 MAPT (0.81) MAPTHSP90AA1PTPN11GPR119LMNA
SCHEMBL21527992 0.80 MAPT (0.81) MAPTHSP90AA1PTPN11GPR119LMNA
SCHEMBL29614660 0.80 MAPT (0.54) MAPTDDB1CRBNPTPN11GPR119
SCHEMBL18818488 0.80 DDB1 (0.53) MAPTDDB1CRBNHSP90AA1GPR119
SCHEMBL20078108 0.80 DDB1 (0.53) MAPTDDB1CRBNHSP90AA1CKS1B
SCHEMBL21528007 0.80 MAPT (0.77) MAPTDDB1CRBNHSP90AA1PTPN11
SCHEMBL1017921 0.80 MAPT (0.77) MAPTHSP90AA1PIK3CAMTORHSP90AB1
SCHEMBL31046962 0.80 MAPT (0.77) MAPTDDB1CRBNHSP90AA1PTPN11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3623369-B1 NOVEL MORPHOLINYL AMINE COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE HOFFMANN LA ROCHE (CH) 2023-10-25 EP disclosed
EP-3623369-A1 NOVEL MORPHOLINYL AMINE COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE F. Hoffmann-La Roche AG (CH) 2020-03-18 EP disclosed
US-20100240638-A1 Organic Compounds and their uses NOVARTIS AG (CH) 2010-09-23 US disclosed
US-20100240638-A1 Organic Compounds and their uses NOVARTIS AG (CH) 2010-09-23 US disclosed
US-20100240638-A1 Organic Compounds and their uses NOVARTIS AG (CH) 2010-09-23 US disclosed
EP-2125757-A1 MACROCYCLIC COMPOUNDS AS HCV NS3 PROTEASE INHIBITORS Novartis AG (CH) 2009-12-02 EP disclosed
WO-2008101665-A1 MACROCYCLIC COMPOUNDS AS HCV NS3 PROTEASE INHIBITORS NOVARTIS AG (CH) 2008-08-28 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-20100240638-A1 Organic Compounds and their uses OAT, HAVCR2, CYP3A43 MAPT 4041/4885DDB1 1326/4885CRBN 1764/4885

“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.