SCHEMBL1493589

SCHEMBL1493589

Cc1cccc(C)c1-n1nnnc1CCC(=O)O

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 6/20 0.57
ALDH1A1 P00352 4/20 0.48
TSHR P16473 3/20 0.48
NPSR1 Q6W5P4 1/20 0.48
PARP1 P09874 1/20 0.41
PARP2 Q9UGN5 1/20 0.41
ALOX15 P16050 2/20 0.41
LMNA P02545 2/20 0.41
MAPK1 P28482 1/20 0.41
HTT P42858 1/20 0.41
FFAR1 O14842 1/20 0.41
KMT2A Q03164 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
TP53 P04637 1/20 0.39

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
SCHEMBL1493551 0.86 HSD11B1 (0.48) HSD11B1NPSR1LMNAKMT2ATP53
SCHEMBL1493404 0.85 HSD11B1 (0.64) HSD11B1ALDH1A1TSHRNPSR1LMNA
SCHEMBL1493557 0.84 HSD11B1 (0.48) HSD11B1LMNAFFAR1HDAC6TP53
SCHEMBL1613166 0.82 HSD11B1 (0.46) HSD11B1ALDH1A1LMNAFFAR1KMT2A
SCHEMBL1493377 0.79 HSD11B1 (0.74) HSD11B1ALDH1A1TSHRNPSR1LMNA
SCHEMBL1493506 0.77 HSD11B1 (0.57) HSD11B1ALDH1A1TSHRNPSR1ALOX15
SCHEMBL25669655 0.77 ALDH1A1 (0.57) HSD11B1ALDH1A1TSHRNPSR1ALOX15
SCHEMBL1493532 0.74 HSD11B1 (0.54) HSD11B1ALDH1A1HTTFFAR1KMT2A
SCHEMBL1611509 0.73 ALDH1A1 (0.69) ALDH1A1TSHRNPSR1MAPK1KMT2A
SCHEMBL10672820 0.71 HSD11B1 (0.66) HSD11B1ALDH1A1LMNAMAPK1HTT

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 1201/4885ALDH1A1 3233/4885TSHR 44/4885

“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.