SCHEMBL332828

SCHEMBL332828

C[C@H]1C[C@@](C#N)(c2cccc(Br)c2)CCO1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 3/20 0.37
SLC6A3 Q01959 3/20 0.37
CHRNA1 P02708 1/20 0.37
CHRNG P07510 1/20 0.37
CHRNB1 P11230 1/20 0.37
CHRNB2 P17787 1/20 0.37
SLC6A2 P23975 1/20 0.37
CHRNB4 P30926 1/20 0.37
CHRNA3 P32297 1/20 0.37
CHRNA4 P43681 1/20 0.37
CHRND Q07001 1/20 0.37
KMT2A Q03164 2/20 0.35
HCAR3 P49019 1/20 0.32
HCAR2 Q8TDS4 1/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
GAA P10253 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
LRRK2 Q5S007 1/20 0.31

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
SCHEMBL12672112 1.00 SLC6A4 (0.37) SLC6A4SLC6A3CHRNA1CHRNGCHRNB1
SCHEMBL7802557 0.84 KMT2A (0.35) SLC6A4SLC6A3KMT2AHCAR3HCAR2
SCHEMBL7802560 0.84 KMT2A (0.35) SLC6A4SLC6A3KMT2AHCAR3HCAR2
SCHEMBL7814915 0.84 KMT2A (0.35) SLC6A4SLC6A3KMT2AHCAR3HCAR2
SCHEMBL1600173 0.84 KMT2A (0.38) SLC6A4SLC6A3KMT2ALRRK2OPRM1
SCHEMBL30967765 0.83 SLC6A4 (0.40) SLC6A4SLC6A3CHRNA1CHRNGCHRNB1
SCHEMBL332544 0.81 ALOX5 (0.32)
SCHEMBL332497 0.81 ALOX5 (0.32)
SCHEMBL25349402 0.79 SLC6A4 (0.40) SLC6A4SLC6A3CHRNA1CHRNGCHRNB1
SCHEMBL15199126 0.79 SLC6A4 (0.40) SLC6A4SLC6A3CHRNA1CHRNGCHRNB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8097733-B2 Pyrazole derivatives as 5-LO-inhibitors PFIZER INC. (US) 2012-01-17 US disclosed
EP-2225229-A1 PYRAZOLE DERIVATIVES AS 5-LO INHIBITORS Pfizer Inc. (US) 2010-09-08 EP disclosed
US-20090227634-A1 Pyrazole Derivatives as 5-LO-Inhibitors PFIZER INC. 2009-09-10 US disclosed
WO-2009069044-A1 PYRAZOLE DERIVATIVES AS 5-LO INHIBITORS PFIZER INC. (US) 2009-06-04 WO 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-20090227634-A1 Pyrazole Derivatives as 5-LO-Inhibitors ALOX5, ALOX15, CYP3A5 SLC6A4 3739/4885SLC6A3 4736/4885CHRNA1 3517/4885

“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.