SCHEMBL734646

SCHEMBL734646

NC(=O)c1ccc(Oc2ccc(S(=O)(=O)CN[C@@H]3CCCc4c3cnn4CC(=O)O)cc2Cl)cc1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 8/20 0.39
OPRM1 P35372 7/20 0.39
OPRD1 P41143 6/20 0.39
FFAR1 O14842 1/20 0.34
CCR2 P41597 2/20 0.32
NOD2 Q9HC29 1/20 0.32
NOD1 Q9Y239 1/20 0.32
SCN9A Q15858 2/20 0.32
CCR1 P32246 1/20 0.31
CCR5 P51681 1/20 0.31
ALDH1A1 P00352 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
KMT2A Q03164 1/20 0.31
PTGDR Q13258 1/20 0.31
PTGDR2 Q9Y5Y4 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
SCHEMBL731648 0.93 FFAR1 (0.39) FFAR1CCR2SCN9ACCR1CCR5
SCHEMBL733796 0.92 PREP (0.36) FFAR1SMN1; SMN2KMT2A
SCHEMBL733317 0.91 FFAR1 (0.35) OPRK1OPRM1OPRD1FFAR1SCN9A
SCHEMBL733651 0.91 NPBWR1 (0.37) FFAR1NOD2NOD1ALDH1A1SMN1; SMN2
SCHEMBL3168499 0.91 FFAR1 (0.35) OPRK1OPRM1OPRD1FFAR1SCN9A
SCHEMBL734491 0.91 FFAR1 (0.35) FFAR1SCN9ASMN1; SMN2KMT2A
SCHEMBL734027 0.91 FFAR1 (0.35) OPRK1OPRM1OPRD1FFAR1SCN9A
SCHEMBL732836 0.91 GCK (0.37) FFAR1SCN9A
SCHEMBL731661 0.89 NPC1 (0.37) NOD1KMT2A
SCHEMBL732591 0.89 SCN9A (0.39) FFAR1SCN9A

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
EP-2307383-B1 AMINOTETRAHYDROINDAZOLOACETIC ACIDS HOFFMANN LA ROCHE (CH) 2012-05-16 EP claimed
US-8138208-B2 Aminotetrahydroindazoloacetic acids HOFFMANN-LA ROCHE INC. (US) 2012-03-20 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 OPRK1 741/4885OPRM1 1932/4885OPRD1 343/4885
US-20100016369-A1 AMINOTETRAHYDROINDAZOLOACETIC ACIDS HRH2, HRH1, HRH4 OPRK1 741/4885OPRM1 1932/4885OPRD1 343/4885

“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.