SCHEMBL733795

SCHEMBL733795

CN(C1CCCc2c1cnn2CC(=O)O)S(=O)(=O)c1cnc(Oc2cccc(Cl)c2)c(Br)c1

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
F10 P00742 3/20 0.35
FFAR1 O14842 1/20 0.34
HRH3 Q9Y5N1 2/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
PKM P14618 1/20 0.31
KMT2A Q03164 1/20 0.31
SCN9A Q15858 1/20 0.31
HTR2A P28223 1/20 0.30
HTR2C P28335 1/20 0.30
TRPC5 Q9UL62 1/20 0.30
TBXA2R P21731 1/20 0.30
PTGDR Q13258 1/20 0.30
PTGER4 P35408 1/20 0.30
KDM4E B2RXH2 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
SCHEMBL733794 1.00 F10 (0.35) F10FFAR1HRH3CYP1A2CYP2C9
SCHEMBL733922 0.93 F10 (0.33) F10KMT2ASCN9A
SCHEMBL733923 0.93 F10 (0.33) F10KMT2ASCN9A
SCHEMBL732276 0.92 F10 (0.36) F10FFAR1SCN9ATBXA2RPTGDR
SCHEMBL732277 0.92 F10 (0.36) F10FFAR1SCN9ATBXA2RPTGDR
SCHEMBL733819 0.92 HTT (0.36) F10CYP1A2CYP2C9CYP2C19KMT2A
SCHEMBL733820 0.92 HTT (0.36) F10CYP1A2CYP2C9CYP2C19KMT2A
SCHEMBL733715 0.89 F10 (0.35) F10SCN9ATBXA2RPTGDR
SCHEMBL733714 0.89 F10 (0.35) F10SCN9ATBXA2RPTGDR
SCHEMBL734196 0.89 F10 (0.35) F10FFAR1SCN9ATBXA2RPTGDR

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 9 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 claimed
EP-2307383-B1 AMINOTETRAHYDROINDAZOLOACETIC ACIDS HOFFMANN LA ROCHE (CH) 2012-05-16 EP claimed
US-20120101131-A1 Aminotetrahydroindazoloacetic Acids CHEN LI (CN) 2012-04-26 US claimed
US-20100016369-A1 AMINOTETRAHYDROINDAZOLOACETIC ACIDS CHEN LI 2010-01-21 US claimed
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 F10 736/4885FFAR1 43/4885HRH3 4/4885
US-20100016369-A1 AMINOTETRAHYDROINDAZOLOACETIC ACIDS HRH2, HRH1, HRH4 F10 736/4885FFAR1 43/4885HRH3 4/4885

“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.