SCHEMBL13699313

SCHEMBL13699313

CCCNCCc1cccnc1N

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 3/20 0.44
NOS2 P35228 2/20 0.40
NOS3 P29474 1/20 0.40
NOS1 P29475 1/20 0.40
DRD2 P14416 1/20 0.40
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
HSD17B10 Q99714 1/20 0.38
HTR2A P28223 2/20 0.38
SLC6A2 P23975 1/20 0.38
KDM1A O60341 1/20 0.38
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
TKT P29401 3/20 0.37
VCP P55072 1/20 0.36
GRM5 P41594 1/20 0.36
HTR2C P28335 1/20 0.36
MPO P05164 1/20 0.35
TLR8 Q9NR97 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
SCHEMBL13699052 0.83 BACE1 (0.41) BACE1NOS2NOS3NOS1KDM4E
SCHEMBL2384178 0.82 BACE1 (0.51) BACE1NOS2NOS3NOS1KDM4E
SCHEMBL8049756 0.79 BACE1 (0.49) BACE1NOS2NOS3NOS1TKT
SCHEMBL293456 0.78
SCHEMBL30154778 0.78
SCHEMBL750976 0.77 TLR8 (0.49) BACE1NOS2NOS3NOS1TLR8
Ammonia Solution, Strong SCHEMBL23122969 0.76 NOS3 (0.50) BACE1NOS2NOS3NOS1KDM4E
SCHEMBL6982374 0.76 TLR8 (0.47) BACE1NOS2NOS3NOS1KDM4E
SCHEMBL11401202 0.76 TLR8 (0.47) BACE1NOS2NOS3NOS1KDM4E
SCHEMBL28020387 0.76 TLR8 (0.47) BACE1NOS2NOS3NOS1KDM4E

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 3429/4885NOS2 1543/4885NOS3 2072/4885
US-20080039406-A1 3,6-BRIDGED TYLOSIN DERIVATIVES ABCB11, ABCB1, CYP2B6 BACE1 1459/4885NOS2 1544/4885NOS3 735/4885

“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.