SCHEMBL752835

SCHEMBL752835

CCOC(=O)Cn1ncc2c1CCC[C@H]2N(C)S(=O)(=O)c1cnc(Cc2ccc(C#N)cc2)c(Br)c1

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
USP14 P54578 6/20 0.34
L3MBTL1 Q9Y468 1/20 0.32
CYP11B1 P15538 1/20 0.31
CYP11B2 P19099 1/20 0.31
TSHR P16473 1/20 0.31
KMT2A Q03164 1/20 0.30
PTGDR Q13258 1/20 0.30
PTGDR2 Q9Y5Y4 1/20 0.30
SCN9A Q15858 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
SCHEMBL734074 0.88 USP14 (0.34) USP14L3MBTL1CYP11B1CYP11B2KMT2A
SCHEMBL734073 0.88 USP14 (0.34) USP14L3MBTL1CYP11B1CYP11B2KMT2A
SCHEMBL751212 0.83 KMT2A (0.35) L3MBTL1KMT2A
SCHEMBL733799 0.83 KMT2A (0.45) L3MBTL1KMT2A
SCHEMBL733800 0.83 KMT2A (0.45) L3MBTL1KMT2A
SCHEMBL702732 0.82 L3MBTL1 (0.33) L3MBTL1KMT2A
SCHEMBL702733 0.82 L3MBTL1 (0.33) L3MBTL1KMT2A
SCHEMBL701352 0.80 KMT2A (0.33) L3MBTL1KMT2A
SCHEMBL701353 0.80 KMT2A (0.33) L3MBTL1KMT2A
SCHEMBL701692 0.79 ALDH1A1 (0.33) L3MBTL1TSHRKMT2A

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-8138208-B2 Aminotetrahydroindazoloacetic acids HOFFMANN-LA ROCHE INC. (US) 2012-03-20 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
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 (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-20100016369-A1 AMINOTETRAHYDROINDAZOLOACETIC ACIDS HRH2, HRH1, HRH4 USP14 4093/4885L3MBTL1 4779/4885CYP11B1 629/4885

“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.