SCHEMBL7188760

SCHEMBL7188760

COc1cc(OCCN)ccc1-c1cccc(N)n1.COc1cc(OCCN2CCc3ccccc3C2)ccc1-c1cccc(N)n1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 7/20 0.48
NOS1 P29475 7/20 0.48
NOS2 P35228 7/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
TDP1 Q9NUW8 2/20 0.47
ABCB1 P08183 3/20 0.45
KDM4E B2RXH2 4/20 0.45
MAPT P10636 2/20 0.45
ALDH1A1 P00352 2/20 0.45
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
TAAR1 Q96RJ0 1/20 0.43
HTT P42858 1/20 0.43
GCGR P47871 1/20 0.42

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
SCHEMBL219973 0.96 NOS3 (0.52) NOS3NOS1NOS2MEN1KMT2A
SCHEMBL7188765 0.90 MEN1 (0.46) MEN1KMT2AL3MBTL1TDP1ABCB1
SCHEMBL4284903 0.83 NOS1 (0.54) NOS3NOS1NOS2MEN1KMT2A
SCHEMBL221914 0.82 NOS3 (0.63) NOS3NOS1NOS2KDM4EALDH1A1
SCHEMBL27981986 0.80 MEN1 (0.51) MEN1KMT2AL3MBTL1TDP1ABCB1
SCHEMBL6583956 0.78 NOS1 (0.48) NOS3NOS1NOS2L3MBTL1
SCHEMBL5833752 0.78 NOS3 (0.74) NOS3NOS1NOS2MEN1KMT2A
SCHEMBL221387 0.78 NOS1 (0.46) NOS3NOS1NOS2
SCHEMBL5833630 0.78 NOS3 (0.69) NOS3NOS1NOS2ABCB1KDM4E
SCHEMBL5833404 0.76 NOS3 (0.76) NOS3NOS1NOS2MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030045449-A1 Pharmaceutical combinations for the treatment of neurodegenerative diseases PFIZER, INC. 2003-03-06 US claimed

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-20030045449-A1 Pharmaceutical combinations for the treatment of neurodegenerative diseases GRIN3A, GRIN1, CHRNA10 NOS3 157/4885NOS1 110/4885NOS2 192/4885

“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.