SCHEMBL732518

SCHEMBL732518

CCOC(=O)Cn1ncc2c1CCC[C@H]2N(C)S(=O)(=O)c1ccc(Oc2ccc(Cl)cc2Cl)cc1Cl

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.36
FFAR1 O14842 2/20 0.35
KCNJ6 P48051 1/20 0.34
KCNJ5 P48544 1/20 0.34
KCNJ3 P48549 1/20 0.34
NPSR1 Q6W5P4 2/20 0.33
NPC1 O15118 1/20 0.33
KMT2A Q03164 1/20 0.33
MAPT P10636 3/20 0.32
F10 P00742 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
BDKRB1 P46663 1/20 0.32
GAA P10253 2/20 0.32
GPR55 Q9Y2T6 1/20 0.32
PPARG P37231 2/20 0.32
SIGMAR1 Q99720 1/20 0.32
AHCY P23526 1/20 0.31
SCN9A Q15858 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
SCHEMBL732519 1.00 HTT (0.36) HTTFFAR1KCNJ6KCNJ5KCNJ3
SCHEMBL733014 0.93 KDM4C (0.34) KMT2ASCN9A
SCHEMBL733015 0.93 KDM4C (0.34) KMT2ASCN9A
SCHEMBL734613 0.93 HTT (0.34) HTTNPSR1MAPTF10SMN1; SMN2
SCHEMBL734614 0.93 HTT (0.34) HTTNPSR1MAPTF10SMN1; SMN2
SCHEMBL733830 0.92 KDM4C (0.36) HTTNPSR1KMT2AMAPTSMN1; SMN2
SCHEMBL733831 0.92 KDM4C (0.36) HTTNPSR1KMT2AMAPTSMN1; SMN2
SCHEMBL732241 0.91 FFAR1 (0.40) FFAR1KCNJ6KCNJ5KCNJ3F10
SCHEMBL732242 0.91 FFAR1 (0.40) FFAR1KCNJ6KCNJ5KCNJ3F10
SCHEMBL734021 0.88 F10 (0.37) FFAR1MAPTF10SMN1; SMN2GAA

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 13 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
US-8420675-B2 Aminotetrahydroindazoloacetic acids HOFFMANN-LA ROCHE INC. (US) 2013-04-16 US disclosed
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-20120101131-A1 Aminotetrahydroindazoloacetic Acids CHEN LI (CN) 2012-04-26 US 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-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
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 HTT 3596/4885FFAR1 43/4885KCNJ6 730/4885
US-20100016369-A1 AMINOTETRAHYDROINDAZOLOACETIC ACIDS HRH2, HRH1, HRH4 HTT 3596/4885FFAR1 43/4885KCNJ6 730/4885

“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.