SCHEMBL732128

SCHEMBL732128

COC(=O)CCn1ncc2c1CCC[C@H]2NS(=O)(=O)c1cnc(Oc2ccccc2Cl)c(Br)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S100A9 P06702 1/20 0.34
DRD2 P14416 1/20 0.34
ADRA1D P25100 1/20 0.34
ADRA1A P35348 1/20 0.34
ADRA1B P35368 1/20 0.34
CCR2 P41597 2/20 0.33
KDM4C Q9H3R0 1/20 0.33
KMT2A Q03164 5/20 0.33
MEN1 O00255 3/20 0.33
HPGD P15428 2/20 0.33
NPSR1 Q6W5P4 1/20 0.33
HTR1A P08908 1/20 0.33
HTR7 P34969 1/20 0.33
ALDH1A1 P00352 1/20 0.32
TP53 P04637 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
GAA P10253 1/20 0.32
MALT1 Q9UDY8 1/20 0.32
LMNA P02545 1/20 0.32
MAPK1 P28482 1/20 0.32

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
SCHEMBL732130 1.00 S100A9 (0.34) S100A9DRD2ADRA1DADRA1AADRA1B
SCHEMBL734513 0.94 L3MBTL1 (0.36) S100A9DRD2ADRA1DADRA1AADRA1B
SCHEMBL734515 0.94 L3MBTL1 (0.36) S100A9DRD2ADRA1DADRA1AADRA1B
SCHEMBL4572468 0.91 CCR2 (0.33) CCR2KDM4CKMT2AMEN1HPGD
SCHEMBL732073 0.89 MMP2 (0.37) S100A9CCR2KMT2AMEN1
SCHEMBL732075 0.89 MMP2 (0.37) S100A9CCR2KMT2AMEN1
SCHEMBL732243 0.89 KDM4C (0.35) S100A9DRD2ADRA1DADRA1AADRA1B
SCHEMBL732245 0.89 KDM4C (0.35) S100A9DRD2ADRA1DADRA1AADRA1B
SCHEMBL731927 0.88 HPGD (0.41) DRD2ADRA1DADRA1AADRA1BKDM4C
SCHEMBL731929 0.88 HPGD (0.41) DRD2ADRA1DADRA1AADRA1BKDM4C

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 S100A9 3060/4885DRD2 657/4885ADRA1D 38/4885
US-20100016369-A1 AMINOTETRAHYDROINDAZOLOACETIC ACIDS HRH2, HRH1, HRH4 S100A9 3060/4885DRD2 657/4885ADRA1D 38/4885

“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.