SCHEMBL1613166

SCHEMBL1613166

COc1cccc(OC)c1-n1nnnc1CCC(=O)O

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 7/20 0.46
LMNA P02545 2/20 0.41
RXRA P19793 1/20 0.40
ALDH1A1 P00352 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
FFAR1 O14842 2/20 0.39
HDAC6 Q9UBN7 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
SCHEMBL1493589 0.82 HSD11B1 (0.57) HSD11B1LMNAALDH1A1KMT2AFFAR1
SCHEMBL1493557 0.81 HSD11B1 (0.48) HSD11B1LMNAFFAR1HDAC6
SCHEMBL10673787 0.78 HSD11B1 (0.50) HSD11B1LMNAALDH1A1MEN1KMT2A
SCHEMBL1493377 0.76 HSD11B1 (0.74) HSD11B1LMNAALDH1A1MEN1KMT2A
SCHEMBL1493551 0.74 HSD11B1 (0.48) HSD11B1LMNAMEN1KMT2A
SCHEMBL1493404 0.74 HSD11B1 (0.64) HSD11B1LMNAALDH1A1FFAR1HDAC6
SCHEMBL1612000 0.72 HTT (0.45) LMNAALDH1A1
SCHEMBL1493532 0.71 HSD11B1 (0.54) HSD11B1ALDH1A1MEN1KMT2AFFAR1
SCHEMBL10679587 0.71 ALDH1A1 (0.52) HSD11B1LMNAALDH1A1MEN1KMT2A
SCHEMBL20514119 0.69 APLNR (0.50)

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 1 patent. 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

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 1201/4885LMNA 4145/4885RXRA 455/4885

“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.