SCHEMBL476339

SCHEMBL476339

CC(C)(C)CN(Cc1cc(S(=O)(=O)c2cccc(Br)c2)n(-c2cccnc2F)n1)C(=O)O

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 6/20 0.32
NAMPT P43490 1/20 0.30
HTR2A P28223 1/20 0.30
HTR2C P28335 1/20 0.30
HTR7 P34969 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
SCHEMBL3700744 0.91 PTGDR2 (0.33) HTR6
SCHEMBL476415 0.91 HTR6 (0.35) HTR6NAMPTHTR2AHTR2CHTR7
SCHEMBL3705969 0.89 SLC16A3 (0.39)
SCHEMBL476326 0.88 COMT (0.36) HTR6
SCHEMBL476395 0.88 NAMPT (0.33) NAMPT
SCHEMBL18258907 0.87 HTR6 (0.32) HTR6NAMPTHTR2AHTR2CHTR7
SCHEMBL3697999 0.85 P2RX7 (0.33)
SCHEMBL476337 0.83 HTR2C (0.38) HTR6HTR2AHTR2CHTR7
SCHEMBL476311 0.82 CA1 (0.35) HTR6NAMPTHTR2AHTR2CHTR7
SCHEMBL3697140 0.81 SLC16A3 (0.34) HTR6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8895588-B2 Pyrazole compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-11-25 US disclosed
US-20120095057-A1 PYRAZOLE COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-04-19 US disclosed
EP-2412713-A1 PYRAZOLE COMPOUND Takeda Pharmaceutical Company Limited (JP) 2012-02-01 EP 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-20120095057-A1 PYRAZOLE COMPOUND CEL, HRH2, GIPR HTR6 2380/4885NAMPT 2506/4885HTR2A 3463/4885

“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.