SCHEMBL700510

SCHEMBL700510

COC(=O)Cn1ncc2c1CCCC2N(C)S(=O)(=O)c1cc(C2CC2)cc(C(F)(F)F)c1

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 3/20 0.35
TACR1 P25103 1/20 0.32
BTK Q06187 4/20 0.31
GPBAR1 Q8TDU6 1/20 0.31
DHODH Q02127 2/20 0.30
CRHR1 P34998 1/20 0.30
CCR2 P41597 1/20 0.30
KCNH2 Q12809 1/20 0.30
TBXA2R P21731 1/20 0.30
PTGDR Q13258 1/20 0.30
PTGDR2 Q9Y5Y4 1/20 0.30
RBP4 P02753 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
SCHEMBL700509 1.00 CNR1 (0.35) CNR1TACR1BTKGPBAR1DHODH
SCHEMBL14864183 0.92 CETP (0.35) TACR1BTKGPBAR1DHODHCRHR1
SCHEMBL700518 0.91 CNR1 (0.36) CNR1TBXA2RPTGDRPTGDR2RBP4
SCHEMBL700517 0.91 CNR1 (0.36) CNR1TBXA2RPTGDRPTGDR2RBP4
SCHEMBL700376 0.90 TRPM2 (0.37) CNR1BTK
SCHEMBL700375 0.90 TRPM2 (0.37) CNR1BTK
SCHEMBL701272 0.89 CNR1 (0.34) CNR1TACR1TBXA2RPTGDRPTGDR2
SCHEMBL701273 0.89 CNR1 (0.34) CNR1TACR1TBXA2RPTGDRPTGDR2
SCHEMBL701470 0.86 HTR2A (0.33) CNR1BTKGPBAR1CRHR1TBXA2R
SCHEMBL701471 0.86 HTR2A (0.33) CNR1BTKGPBAR1CRHR1TBXA2R

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 CNR1 244/4885TACR1 59/4885BTK 3943/4885
US-20100016368-A1 AMINOTETRAHYDROINDAZOLOACETIC ACIDS HRH2, HRH1, HRH4 CNR1 244/4885TACR1 59/4885BTK 3943/4885

“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.