SCHEMBL702471

SCHEMBL702471

CCOC(=O)Cn1ncc2c1CCCC2=NO

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.46
TSHR P16473 4/20 0.44
MAPK1 P28482 3/20 0.44
UBE2N P61088 1/20 0.44
LMNA P02545 3/20 0.41
TRPM2 O94759 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
KDM4E B2RXH2 1/20 0.37
NPC1 O15118 1/20 0.37
ELANE P08246 1/20 0.36
PTGS2 P35354 1/20 0.36
CYP2C19 P33261 2/20 0.36
CYP2C9 P11712 1/20 0.36
XDH P47989 1/20 0.35
GSK3A P49840 1/20 0.35
GSK3B P49841 1/20 0.35

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
SCHEMBL702470 1.00 SMN1; SMN2 (0.46) SMN1; SMN2TSHRMAPK1UBE2NLMNA
SCHEMBL700290 0.84 ELANE (0.51) SMN1; SMN2MAPK1LMNATRPM2ALDH1A1
SCHEMBL4572407 0.77 SMN1; SMN2 (0.46) SMN1; SMN2TSHRMAPK1LMNATRPM2
SCHEMBL1054878 0.77 LMNA (0.48) SMN1; SMN2TSHRMAPK1UBE2NLMNA
SCHEMBL11891662 0.77 LMNA (0.48) SMN1; SMN2TSHRMAPK1UBE2NLMNA
SCHEMBL11891663 0.77 LMNA (0.48) SMN1; SMN2TSHRMAPK1UBE2NLMNA
SCHEMBL700362 0.72 SMN1; SMN2 (0.42) SMN1; SMN2TSHRMAPK1LMNATRPM2
SCHEMBL700361 0.72 SMN1; SMN2 (0.42) SMN1; SMN2TSHRMAPK1LMNATRPM2
SCHEMBL13513393 0.72 SMN1; SMN2 (0.42) SMN1; SMN2TSHRMAPK1LMNATRPM2
SCHEMBL701288 0.71 SMN1; SMN2 (0.44) SMN1; SMN2TSHRMAPK1LMNATRPM2

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 14 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-8268870-B2 Aminotetrahydroindazoloacetic acids HOFFMANN-LA ROCHE INC. (US) 2012-09-18 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-20120095053-A1 AMINOTETRAHYDROINDAZOLOACETIC ACIDS CHEN LI (CN) 2012-04-19 US disclosed
US-8138208-B2 Aminotetrahydroindazoloacetic acids HOFFMANN-LA ROCHE INC. (US) 2012-03-20 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
EP-2307382-A1 AMINOTETRAHYDROINDAZOLOACETIC ACIDS F. Hoffmann-La Roche AG (CH) 2011-04-13 EP disclosed
EP-2307383-A1 AMINOTETRAHYDROINDAZOLOACETIC ACIDS F. Hoffmann-La Roche AG (CH) 2011-04-13 EP disclosed
US-20100016368-A1 AMINOTETRAHYDROINDAZOLOACETIC ACIDS CHEN LI 2010-01-21 US disclosed
US-20100016369-A1 AMINOTETRAHYDROINDAZOLOACETIC ACIDS CHEN LI 2010-01-21 US disclosed
WO-2010006939-A1 AMINOTETRAHYDROINDAZOLOACETIC ACIDS F. HOFFMANN-LA ROCHE AG (CH) 2010-01-21 WO disclosed
WO-2010006944-A1 AMINOTETRAHYDROINDAZOLOACETIC ACIDS F. HOFFMANN-LA ROCHE AG (CH) 2010-01-21 WO 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 (4 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 SMN1; SMN2 4478/4885TSHR 241/4885MAPK1 3004/4885
US-20120101131-A1 Aminotetrahydroindazoloacetic Acids HRH2, HRH1, HRH4 SMN1; SMN2 4457/4885TSHR 199/4885MAPK1 3240/4885
US-20100016368-A1 AMINOTETRAHYDROINDAZOLOACETIC ACIDS HRH2, HRH1, HRH4 SMN1; SMN2 4478/4885TSHR 241/4885MAPK1 3004/4885
US-20100016369-A1 AMINOTETRAHYDROINDAZOLOACETIC ACIDS HRH2, HRH1, HRH4 SMN1; SMN2 4457/4885TSHR 199/4885MAPK1 3240/4885

“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.