SCHEMBL1493551

SCHEMBL1493551

Cc1cc(C)c(-n2nnnc2CCC(=O)O)c(C)c1

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 6/20 0.48
NPSR1 Q6W5P4 2/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
MAPT P10636 1/20 0.39
GPR17 Q13304 1/20 0.37
TP53 P04637 1/20 0.37
LMNA P02545 1/20 0.37
RXFP1 Q9HBX9 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 0.86 HSD11B1 (0.57) HSD11B1NPSR1KMT2ATP53LMNA
SCHEMBL1493557 0.76 HSD11B1 (0.48) HSD11B1MAPTTP53LMNA
SCHEMBL1493404 0.74 HSD11B1 (0.64) HSD11B1NPSR1MAPTTP53LMNA
SCHEMBL1613166 0.74 HSD11B1 (0.46) HSD11B1MEN1KMT2ALMNA
SCHEMBL6282045 0.73 MEN1 (0.59) NPSR1MEN1KMT2AMAPTTP53
SCHEMBL1493377 0.73 HSD11B1 (0.74) HSD11B1NPSR1MEN1KMT2AMAPT
SCHEMBL28702022 0.70 HDAC6 (0.41) HSD11B1NPSR1
SCHEMBL10676622 0.69 LMNA (0.55) HSD11B1NPSR1MEN1KMT2AMAPT
SCHEMBL28692281 0.67 NAALAD2 (0.42) HSD11B1
SCHEMBL14988768 0.67 NPSR1 (0.57) NPSR1MEN1KMT2AMAPTGPR17

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 1201/4885NPSR1 9/4885MEN1 683/4885

“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.