SCHEMBL733250

SCHEMBL733250

CN(C1CCCc2c1cnn2CC(=O)O)S(=O)(=O)c1cnc(Oc2ccc(Cl)cc2F)c(Br)c1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
F10 P00742 2/20 0.36
SCN9A Q15858 5/20 0.34
PTGDR2 Q9Y5Y4 7/20 0.33
PTGDR Q13258 2/20 0.33
TBXA2R P21731 1/20 0.33
NPC1 O15118 1/20 0.33
PSEN1 P49768 4/20 0.33
PSEN2 P49810 4/20 0.33
APH1B Q8WW43 4/20 0.33
NCSTN Q92542 4/20 0.33
APH1A Q96BI3 4/20 0.33
PSENEN Q9NZ42 4/20 0.33
TPH1 P17752 1/20 0.32
CYP2C9 P11712 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
SCHEMBL733249 1.00 F10 (0.36) F10SCN9APTGDR2PTGDRTBXA2R
SCHEMBL734195 0.93 F10 (0.35) F10SCN9APTGDR2PTGDRTBXA2R
SCHEMBL731688 0.93 SCN9A (0.37) SCN9APTGDR2PTGDRTBXA2RCYP2C9
SCHEMBL734196 0.93 F10 (0.35) F10SCN9APTGDR2PTGDRTBXA2R
SCHEMBL731687 0.93 SCN9A (0.37) SCN9APTGDR2PTGDRTBXA2RCYP2C9
SCHEMBL732785 0.92 SCN9A (0.35) F10SCN9APTGDR2NPC1TPH1
SCHEMBL732786 0.92 SCN9A (0.35) F10SCN9APTGDR2NPC1TPH1
SCHEMBL733715 0.91 F10 (0.35) F10SCN9APTGDR2PTGDRTBXA2R
SCHEMBL733714 0.91 F10 (0.35) F10SCN9APTGDR2PTGDRTBXA2R
SCHEMBL733188 0.90 PTGDR2 (0.35) SCN9APTGDR2PTGDRTBXA2RCYP2C9

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 9 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 claimed
EP-2307383-B1 AMINOTETRAHYDROINDAZOLOACETIC ACIDS HOFFMANN LA ROCHE (CH) 2012-05-16 EP claimed
US-20120101131-A1 Aminotetrahydroindazoloacetic Acids CHEN LI (CN) 2012-04-26 US claimed
US-20100016369-A1 AMINOTETRAHYDROINDAZOLOACETIC ACIDS CHEN LI 2010-01-21 US claimed
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 F10 736/4885SCN9A 2017/4885PTGDR2 16/4885
US-20100016369-A1 AMINOTETRAHYDROINDAZOLOACETIC ACIDS HRH2, HRH1, HRH4 F10 736/4885SCN9A 2017/4885PTGDR2 16/4885

“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.