SCHEMBL732786

SCHEMBL732786

CCOC(=O)Cn1ncc2c1CCCC2N(C)S(=O)(=O)c1cnc(Oc2ccc(Cl)cc2F)c(Br)c1

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 4/20 0.35
F10 P00742 2/20 0.33
NPC1 O15118 1/20 0.33
KMT2A Q03164 1/20 0.33
TPH1 P17752 4/20 0.32
MAPT P10636 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
TLR4 O00206 1/20 0.31
MAPK14 Q16539 1/20 0.31
GRIN2B Q13224 1/20 0.30
GAA P10253 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
PTGDR2 Q9Y5Y4 1/20 0.30
LMNA P02545 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
SCHEMBL732785 1.00 SCN9A (0.35) SCN9AF10NPC1KMT2ATPH1
SCHEMBL733265 0.93 SCN9A (0.40) SCN9ANPC1L3MBTL1PTGDR2LMNA
SCHEMBL732288 0.93 KMT2A (0.33) SCN9AF10NPC1KMT2AMAPT
SCHEMBL733266 0.93 SCN9A (0.40) SCN9ANPC1L3MBTL1PTGDR2LMNA
SCHEMBL732289 0.93 KMT2A (0.33) SCN9AF10NPC1KMT2AMAPT
SCHEMBL733847 0.92 KMT2A (0.33) SCN9AF10NPC1KMT2AMAPT
SCHEMBL733848 0.92 KMT2A (0.33) SCN9AF10NPC1KMT2AMAPT
SCHEMBL733250 0.92 F10 (0.36) SCN9AF10NPC1TPH1PTGDR2
SCHEMBL733249 0.92 F10 (0.36) SCN9AF10NPC1TPH1PTGDR2
SCHEMBL732534 0.91 SCN9A (0.36) SCN9AKMT2ATLR4L3MBTL1PTGDR2

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 SCN9A 2017/4885F10 736/4885NPC1 3825/4885
US-20100016369-A1 AMINOTETRAHYDROINDAZOLOACETIC ACIDS HRH2, HRH1, HRH4 SCN9A 2017/4885F10 736/4885NPC1 3825/4885

“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.