SCHEMBL5040583

SCHEMBL5040583

CC(CC(C)c1ccc(N)nc1)NCCO

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.36
SLC6A4 P31645 1/20 0.35
ALOX5AP P20292 3/20 0.35
FEN1 P39748 3/20 0.35
CPB2 Q96IY4 1/20 0.33
NOS3 P29474 1/20 0.33
NOS2 P35228 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
ADRB1 P08588 4/20 0.32
ADRB3 P13945 4/20 0.32
ADRB2 P07550 2/20 0.32
RAB9A P51151 1/20 0.31
TRPA1 O75762 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
SCHEMBL6470690 0.82 NOS3 (0.36) EPHX2SLC6A4CPB2NOS3NOS2
SCHEMBL5040582 0.81 KMT2A (0.35) SLC6A4SMN1; SMN2RAB9A
SCHEMBL6469027 0.80 NOS2 (0.37) EPHX2ALOX5APFEN1CPB2NOS3
SCHEMBL6469091 0.79 PI4KB (0.33) EPHX2ALOX5APFEN1NOS3NOS2
SCHEMBL6469032 0.79 PI4KB (0.33) EPHX2ALOX5APFEN1NOS3NOS2
SCHEMBL5037526 0.79 PI4KB (0.33) EPHX2ALOX5APFEN1NOS3NOS2
SCHEMBL6466538 0.79 PI4KB (0.33) EPHX2ALOX5APFEN1NOS3NOS2
SCHEMBL6469093 0.77 NOS3 (0.39) EPHX2ALOX5APFEN1CPB2NOS3
SCHEMBL5037255 0.76 PSEN1 (0.44)
SCHEMBL6468854 0.75 NOS3 (0.41) EPHX2ALOX5APFEN1CPB2NOS3

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
EP-1654260-A4 6-MENBERED HETEROARYL COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS PFIZER PROD INC (US) 2008-09-24 EP claimed
EP-1654260-A2 6-MENBERED HETEROARYL COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS Pfizer Products Inc. (US) 2006-05-10 EP claimed
US-20050107381-A1 6-membered heteroaryl compounds for the treatment of neurodegenerative disorders PFIZER, INC. 2005-05-19 US claimed
WO-2005011601-A2 6-MENBERED HETEROARYL COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS PFIZER PRODUCTS, INC. (US) 2005-02-10 WO claimed
US-20050107381-A1 6-membered heteroaryl compounds for the treatment of neurodegenerative disorders PFIZER, INC. 2005-05-19 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 (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-20050107381-A1 6-membered heteroaryl compounds for the treatment of neurodegenerative disorders APP, BACE1, SNCA EPHX2 2162/4885SLC6A4 3424/4885ALOX5AP 2498/4885

“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.