SCHEMBL701522

SCHEMBL701522

CCOC(=O)Cn1ncc2c1CCCC2N(C)S(=O)(=O)c1ccc(Br)cc1F

nearest known ligand 0.33

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TRPM2 O94759 1/20 0.33
CNR1 P21554 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CYP11B1 P15538 1/20 0.32
CYP11B2 P19099 1/20 0.32
CYP1A2 P05177 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
DHODH Q02127 1/20 0.31
GSK3B P49841 1/20 0.31
USP2 O75604 1/20 0.31
S1PR1 P21453 1/20 0.31
NOD2 Q9HC29 1/20 0.31
NOD1 Q9Y239 1/20 0.31
MAPT P10636 1/20 0.31
LMNA P02545 1/20 0.30
POLB P06746 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
SCHEMBL701521 1.00 TRPM2 (0.33) TRPM2CNR1SMN1; SMN2CYP11B1CYP11B2
SCHEMBL13513395 0.90 TRPM2 (0.33) TRPM2SMN1; SMN2CYP11B1CYP11B2S1PR1
SCHEMBL702910 0.90 HCRTR1 (0.35) TRPM2SMN1; SMN2CYP1A2CYP2C9CYP2C19
SCHEMBL702911 0.90 HCRTR1 (0.35) TRPM2SMN1; SMN2CYP1A2CYP2C9CYP2C19
SCHEMBL701349 0.89 PTGDR2 (0.34) CYP2C9DHODH
SCHEMBL701350 0.89 PTGDR2 (0.34) CYP2C9DHODH
SCHEMBL701692 0.85 ALDH1A1 (0.33) TRPM2SMN1; SMN2USP2MAPTLMNA
SCHEMBL701693 0.85 ALDH1A1 (0.33) TRPM2SMN1; SMN2USP2MAPTLMNA
SCHEMBL16494495 0.83 TRPM2 (0.37) TRPM2SMN1; SMN2CYP11B1CYP11B2DHODH
SCHEMBL702305 0.82 F10 (0.36) CNR1SMN1; SMN2MAPTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8124641-B2 Aminotetrahydroindazoloacetic acids HOFFMANN-LA ROCHE INC. (US) 2012-02-28 US claimed
EP-2307382-B1 AMINOTETRAHYDROINDAZOLOACETIC ACIDS HOFFMANN LA ROCHE (CH) 2011-12-21 EP claimed
US-20100016368-A1 AMINOTETRAHYDROINDAZOLOACETIC ACIDS CHEN LI 2010-01-21 US claimed
US-8268870-B2 Aminotetrahydroindazoloacetic acids HOFFMANN-LA ROCHE INC. (US) 2012-09-18 US disclosed
US-20120095053-A1 AMINOTETRAHYDROINDAZOLOACETIC ACIDS CHEN LI (CN) 2012-04-19 US disclosed
US-8124641-B2 Aminotetrahydroindazoloacetic acids HOFFMANN-LA ROCHE INC. (US) 2012-02-28 US disclosed
EP-2307382-B1 AMINOTETRAHYDROINDAZOLOACETIC ACIDS HOFFMANN LA ROCHE (CH) 2011-12-21 EP disclosed
US-20100016368-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-20120095053-A1 AMINOTETRAHYDROINDAZOLOACETIC ACIDS HRH2, HRH1, HRH4 TRPM2 1670/4885CNR1 244/4885SMN1; SMN2 4478/4885
US-20100016368-A1 AMINOTETRAHYDROINDAZOLOACETIC ACIDS HRH2, HRH1, HRH4 TRPM2 1670/4885CNR1 244/4885SMN1; SMN2 4478/4885

“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.