SCHEMBL1493404

SCHEMBL1493404

Cc1cccc(-n2nnnc2CCC(=O)O)c1C

nearest known ligand 0.64

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 6/20 0.64
TP53 P04637 2/20 0.46
POLB P06746 1/20 0.46
MAPT P10636 1/20 0.46
ALDH1A1 P00352 4/20 0.41
KDM4E B2RXH2 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
HSD17B10 Q99714 1/20 0.41
TSHR P16473 1/20 0.40
FFAR1 O14842 1/20 0.40
PPARG P37231 1/20 0.38
PPARD Q03181 1/20 0.38
PPARA Q07869 1/20 0.38
P2RX7 Q99572 1/20 0.37
LMNA P02545 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37

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 0.85 HSD11B1 (0.57) HSD11B1TP53ALDH1A1NPSR1TSHR
SCHEMBL1493506 0.79 HSD11B1 (0.57) HSD11B1TP53POLBALDH1A1NPSR1
SCHEMBL1493532 0.79 HSD11B1 (0.54) HSD11B1MAPTALDH1A1HSD17B10FFAR1
SCHEMBL1493377 0.76 HSD11B1 (0.74) HSD11B1POLBMAPTALDH1A1NPSR1
SCHEMBL1493557 0.76 HSD11B1 (0.48) HSD11B1TP53MAPTFFAR1LMNA
SCHEMBL1493401 0.75 ALDH1A1 (0.64) POLBMAPTALDH1A1NPSR1HSD17B10
SCHEMBL13322088 0.75 HSD11B1 (0.66) HSD11B1TP53POLBMAPTALDH1A1
SCHEMBL1493551 0.74 HSD11B1 (0.48) HSD11B1TP53MAPTNPSR1LMNA
SCHEMBL1613166 0.74 HSD11B1 (0.46) HSD11B1ALDH1A1FFAR1LMNAHDAC6
SCHEMBL10677270 0.71 HSD11B1 (0.64) HSD11B1MAPTALDH1A1NPSR1HSD17B10

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 1201/4885TP53 4867/4885POLB 4782/4885

“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.