SCHEMBL763131

SCHEMBL763131

CCOC(=O)Cn1ncc2c1CCCC2N(C)S(=O)(=O)c1ccc(Oc2ccc(OC(F)(F)F)cc2)c(Cl)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.35
SCN9A Q15858 3/20 0.35
MMP3 P08254 1/20 0.35
MMP10 P09238 1/20 0.35
HCRTR2 O43614 3/20 0.34
SLC6A4 P31645 1/20 0.34
SLC6A3 Q01959 1/20 0.34
TRPM8 Q7Z2W7 2/20 0.33
GRIN2B Q13224 1/20 0.33
MMP1 P03956 1/20 0.33
MMP2 P08253 1/20 0.33
MMP9 P14780 1/20 0.33
PSEN1 P49768 1/20 0.33
PSEN2 P49810 1/20 0.33
APH1B Q8WW43 1/20 0.33
NCSTN Q92542 1/20 0.33
APH1A Q96BI3 1/20 0.33
PSENEN Q9NZ42 1/20 0.33
POLB P06746 1/20 0.33
F10 P00742 2/20 0.32

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
SCHEMBL753808 1.00 HTR2A (0.35) HTR2ASCN9AMMP3MMP10HCRTR2
SCHEMBL733072 0.92 SCN9A (0.36) SCN9APOLBF10GCK
SCHEMBL733073 0.92 SCN9A (0.36) SCN9APOLBF10GCK
SCHEMBL734020 0.92 F10 (0.37) SCN9APSEN1PSEN2APH1BNCSTN
SCHEMBL732123 0.92 POLB (0.34) HCRTR2POLBF10HCRTR1
SCHEMBL734021 0.92 F10 (0.37) SCN9APSEN1PSEN2APH1BNCSTN
SCHEMBL732124 0.92 POLB (0.34) HCRTR2POLBF10HCRTR1
SCHEMBL732592 0.92 SCN9A (0.38) HTR2ASCN9AMMP3MMP10HCRTR2
SCHEMBL732593 0.92 SCN9A (0.38) HTR2ASCN9AMMP3MMP10HCRTR2
SCHEMBL734412 0.92 POLB (0.37) HCRTR2POLBF10HCRTR1

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
US-8420675-B2 Aminotetrahydroindazoloacetic acids HOFFMANN-LA ROCHE INC. (US) 2013-04-16 US disclosed
EP-2307383-B1 AMINOTETRAHYDROINDAZOLOACETIC ACIDS HOFFMANN LA ROCHE (CH) 2012-05-16 EP disclosed
US-20120101131-A1 Aminotetrahydroindazoloacetic Acids CHEN LI (CN) 2012-04-26 US disclosed
US-8138208-B2 Aminotetrahydroindazoloacetic acids HOFFMANN-LA ROCHE INC. (US) 2012-03-20 US disclosed
US-20100016369-A1 AMINOTETRAHYDROINDAZOLOACETIC ACIDS CHEN LI 2010-01-21 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 (2 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-20120101131-A1 Aminotetrahydroindazoloacetic Acids HRH2, HRH1, HRH4 HTR2A 298/4885SCN9A 2017/4885MMP3 3910/4885
US-20100016369-A1 AMINOTETRAHYDROINDAZOLOACETIC ACIDS HRH2, HRH1, HRH4 HTR2A 298/4885SCN9A 2017/4885MMP3 3910/4885

“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.