SCHEMBL1645197

SCHEMBL1645197

CCCCCSc1ccccc1CN

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 4/20 0.49
EPHX2 P34913 1/20 0.43
CYSLTR2 Q9NS75 1/20 0.43
CYSLTR1 Q9Y271 1/20 0.43
TLR8 Q9NR97 1/20 0.42
SLC6A2 P23975 1/20 0.41
SLC6A4 P31645 1/20 0.41
SLC6A3 Q01959 1/20 0.41
SOAT1 P35610 9/20 0.40

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
SCHEMBL16846614 0.95 PTGS2 (0.49) PTGS2EPHX2CYSLTR2CYSLTR1TLR8
Piperazine SCHEMBL28754426 0.91 PTGS2 (0.43) PTGS2EPHX2CYSLTR2CYSLTR1TLR8
SCHEMBL27616882 0.84 PTGS2 (0.50) PTGS2EPHX2CYSLTR2CYSLTR1TLR8
SCHEMBL8876620 0.81 PTGS2 (0.51) PTGS2EPHX2CYSLTR2CYSLTR1TLR8
SCHEMBL27918605 0.80 PTGS2 (0.44) PTGS2EPHX2CYSLTR2CYSLTR1SOAT1
SCHEMBL1346500 0.79 PTGS2 (0.53) PTGS2EPHX2CYSLTR2CYSLTR1TLR8
SCHEMBL1644440 0.79 SLC6A4 (0.49) PTGS2SLC6A2SLC6A4SLC6A3
SCHEMBL3842830 0.79 SLC6A2 (0.46) SLC6A2SLC6A4SLC6A3
SCHEMBL3016133 0.78 PTGS2 (0.46) PTGS2EPHX2CYSLTR2CYSLTR1TLR8
SCHEMBL9171692 0.78 PTGS2 (0.54) PTGS2EPHX2CYSLTR2CYSLTR1TLR8

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-20110097274-A1 Carbon-11 and fluorine-18 labeled radioligands for positron emission tomography (PET) imaging for the brain serotonin transporters NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2011-04-28 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-20110097274-A1 Carbon-11 and fluorine-18 labeled radioligands for positron emission tomography (PET) imaging for the brain serotonin transporters SLC6A4, SLC18A2, SLC6A2 PTGS2 3775/4885EPHX2 3722/4885CYSLTR2 1904/4885

“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.