SCHEMBL8414528

SCHEMBL8414528

N#CCCC1CCCN1Cc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 1/20 0.48
SPHK2 Q9NRA0 2/20 0.46
SPHK1 Q9NYA1 2/20 0.46
VEGFA P15692 1/20 0.46
EGLN1 Q9GZT9 1/20 0.46
FAAH O00519 3/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44

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
SCHEMBL8686933 0.96 SLC6A4 (0.53) SLC6A4MEN1KMT2A
SCHEMBL6174995 0.85 SPHK2 (0.48) SLC6A4SPHK2SPHK1FAAH
SCHEMBL1903624 0.85 SPHK2 (0.48) SLC6A4SPHK2SPHK1FAAH
SCHEMBL11199979 0.81 SPHK2 (0.50) SPHK2SPHK1VEGFAEGLN1FAAH
SCHEMBL1257677 0.81 SLC6A4 (0.49) SLC6A4SPHK2SPHK1
SCHEMBL1257675 0.81 SLC6A4 (0.49) SLC6A4SPHK2SPHK1
SCHEMBL24200095 0.80 SPHK2 (0.49) SPHK2SPHK1VEGFAEGLN1FAAH
SCHEMBL16416519 0.80 VEGFA (0.64) SPHK2SPHK1VEGFAEGLN1
SCHEMBL11199921 0.79 SPHK2 (0.51) SPHK2SPHK1FAAH
SCHEMBL5530480 0.78

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7638513-B2 Compounds for the treatment of inflammatory disorders SCHERING CORPORATION (US) 2009-12-29 US disclosed
US-20060178366-A1 Compounds for the treatment of inflammatory disorders SCHERING CORPORATION 2006-08-10 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-20060178366-A1 Compounds for the treatment of inflammatory disorders MMP12, ADAMTS1, TNF SLC6A4 2731/4885SPHK2 1400/4885SPHK1 1160/4885

“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.