SCHEMBL732820

SCHEMBL732820

COC(=O)CCn1ncc2c1CCCC2N(C)S(=O)(=O)c1cc(C(F)(F)F)cc(S(=O)(=O)c2ccc(Cl)cc2)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CETP P11597 1/20 0.35
PSEN1 P49768 6/20 0.34
PSEN2 P49810 6/20 0.34
APH1B Q8WW43 6/20 0.34
NCSTN Q92542 6/20 0.34
APH1A Q96BI3 6/20 0.34
PSENEN Q9NZ42 6/20 0.34
F10 P00742 2/20 0.34
NAMPT P43490 1/20 0.34
CRHR1 P34998 1/20 0.33
HTR2A P28223 2/20 0.33
HTR2C P28335 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
RHOC P08134 1/20 0.32
RHOA P61586 1/20 0.32
ALDH1A1 P00352 1/20 0.32
PKM P14618 1/20 0.32
BTK Q06187 2/20 0.32
TACR2 P21452 1/20 0.31
TACR1 P25103 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
SCHEMBL732819 1.00 CETP (0.35) CETPPSEN1PSEN2APH1BNCSTN
SCHEMBL733953 0.93 DHODH (0.33) HTR2AHTR2CL3MBTL1ALDH1A1PKM
SCHEMBL733221 0.93 PTGDR2 (0.37) CETPNAMPTHTR2AHTR2CL3MBTL1
SCHEMBL733220 0.93 PTGDR2 (0.37) CETPNAMPTHTR2AHTR2CL3MBTL1
SCHEMBL733954 0.93 DHODH (0.33) HTR2AHTR2CL3MBTL1ALDH1A1PKM
SCHEMBL734163 0.93 HCRTR1 (0.37) HTR2AHTR2CL3MBTL1ALDH1A1PTGDR
SCHEMBL734162 0.93 HCRTR1 (0.37) HTR2AHTR2CL3MBTL1ALDH1A1PTGDR
SCHEMBL732764 0.92 PTGDR2 (0.35) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL732765 0.92 PTGDR2 (0.35) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL701470 0.90 HTR2A (0.33) CETPCRHR1HTR2AHTR2CL3MBTL1

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 CETP 3721/4885PSEN1 4088/4885PSEN2 3822/4885
US-20100016369-A1 AMINOTETRAHYDROINDAZOLOACETIC ACIDS HRH2, HRH1, HRH4 CETP 3721/4885PSEN1 4088/4885PSEN2 3822/4885

“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.