SCHEMBL13699052

SCHEMBL13699052

CC(C)CCNCCc1cccnc1N

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 2/20 0.41
ALDH1A1 P00352 2/20 0.41
CYP1A2 P05177 2/20 0.41
CYP2C19 P33261 2/20 0.41
NOS3 P29474 1/20 0.37
NOS1 P29475 1/20 0.37
NOS2 P35228 1/20 0.37
KDM4E B2RXH2 1/20 0.37
ALOX12 P18054 1/20 0.37
KDM1A O60341 1/20 0.35
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35
TKT P29401 3/20 0.35
TLR7 Q9NYK1 1/20 0.35
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
VCP P55072 1/20 0.34
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34
CYP2C8 P10632 1/20 0.33

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
SCHEMBL13699313 0.83 BACE1 (0.44) BACE1ALDH1A1NOS3NOS1NOS2
SCHEMBL28453371 0.74 BACE1 (0.45) BACE1NOS3NOS1NOS2KDM1A
SCHEMBL30154639 0.73 NOS3 (0.47) BACE1NOS3NOS1NOS2KDM1A
SCHEMBL10130647 0.73 NOS3 (0.47) BACE1NOS3NOS1NOS2KDM1A
SCHEMBL9977955 0.73 BACE1 (0.53) BACE1ALDH1A1CYP1A2CYP2C19NOS3
SCHEMBL13699035 0.73 ALDH1A1 (0.73) ALDH1A1CYP1A2CYP2C19KDM4EALOX12
SCHEMBL172536 0.71 TAAR1 (0.58) CYP1A2CYP2C19KMT2AMEN1CYP2C9
SCHEMBL2384178 0.71 BACE1 (0.51) BACE1NOS3NOS1NOS2KDM4E
SCHEMBL30154778 0.70
SCHEMBL293456 0.70

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7589067-B2 6, 11-bridged tricyclic macrolides ENANTA PHARMACEUTICALS, INC. (US) 2009-09-15 US disclosed
US-20080039406-A1 3,6-BRIDGED TYLOSIN DERIVATIVES ENANTA PHARMACEUTICALS, INC. 2008-02-14 US disclosed
US-20070082853-A1 6, 11-bridged tricyclic macrolides ENANTA PHARMACEUTICAL, INC. 2007-04-12 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 (2 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-20070082853-A1 6, 11-bridged tricyclic macrolides CYP2B6, CYP2D6, ABCB11 BACE1 3429/4885ALDH1A1 1193/4885CYP1A2 59/4885
US-20080039406-A1 3,6-BRIDGED TYLOSIN DERIVATIVES ABCB11, ABCB1, CYP2B6 BACE1 1459/4885ALDH1A1 1995/4885CYP1A2 164/4885

“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.