SCHEMBL1493557

SCHEMBL1493557

CCc1cccc(CC)c1-n1nnnc1CCC(=O)O

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 7/20 0.48
HDAC6 Q9UBN7 2/20 0.39
SLC22A12 Q96S37 1/20 0.39
MAPT P10636 1/20 0.38
PTGER1 P34995 1/20 0.38
PTGER4 P35408 1/20 0.38
PTGER3 P43115 1/20 0.38
PTGER2 P43116 1/20 0.38
DAGLA Q9Y4D2 1/20 0.36
FFAR1 O14842 1/20 0.36
TP53 P04637 1/20 0.36
LMNA P02545 1/20 0.36

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
SCHEMBL1493589 0.84 HSD11B1 (0.57) HSD11B1HDAC6FFAR1TP53LMNA
SCHEMBL1613166 0.81 HSD11B1 (0.46) HSD11B1HDAC6FFAR1LMNA
SCHEMBL1493377 0.78 HSD11B1 (0.74) HSD11B1MAPTLMNA
SCHEMBL1493551 0.76 HSD11B1 (0.48) HSD11B1MAPTTP53LMNA
SCHEMBL1493404 0.76 HSD11B1 (0.64) HSD11B1HDAC6MAPTFFAR1TP53
SCHEMBL1610810 0.71 KCNN4 (0.40) MAPTTP53LMNA
SCHEMBL1493506 0.70 HSD11B1 (0.57) HSD11B1FFAR1TP53LMNA
SCHEMBL10672820 0.70 HSD11B1 (0.66) HSD11B1HDAC6MAPTLMNA
SCHEMBL6099863 0.69 LMNA (0.45) TP53LMNA
SCHEMBL28692281 0.69 NAALAD2 (0.42) HSD11B1HDAC6

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110086889-A1 TETRAZOLE COMPOUNDS AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD. (CH) 2011-04-14 US disclosed
EP-2288603-A1 TETRAZOLE COMPOUNDS AS OREXIN RECEPTOR ANTAGONISTS Actelion Pharmaceuticals Ltd. (CH) 2011-03-02 EP disclosed
WO-2009150614-A1 TETRAZOLE COMPOUNDS AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2009-12-17 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 (1 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-20110086889-A1 TETRAZOLE COMPOUNDS AS OREXIN RECEPTOR ANTAGONISTS HCRTR2, HCRTR1, NPY1R HSD11B1 1201/4885HDAC6 604/4885SLC22A12 2120/4885

“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.