SCHEMBL1493417

SCHEMBL1493417

Cc1cccc(C)c1-n1nnnc1SCC(=O)Nc1ccnn1CCCc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.48
ALDH1A1 P00352 8/20 0.46
POLB P06746 3/20 0.46
TSHR P16473 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
HPGD P15428 1/20 0.45
NTRK1 P04629 1/20 0.45
NTRK2 Q16620 1/20 0.45
NFE2 Q16621 1/20 0.45
KMT2A Q03164 1/20 0.44
MAPK1 P28482 1/20 0.44

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
SCHEMBL1612524 0.91 ALDH1A1 (0.49) NPSR1ALDH1A1POLBSMN1; SMN2HPGD
SCHEMBL1493293 0.85 ALDH1A1 (0.51) NPSR1ALDH1A1POLBSMN1; SMN2HPGD
SCHEMBL1611686 0.82 ALDH1A1 (0.44) NPSR1ALDH1A1POLBSMN1; SMN2HPGD
SCHEMBL1610586 0.82 ALDH1A1 (0.44) NPSR1ALDH1A1SMN1; SMN2HPGDKMT2A
SCHEMBL1611415 0.81 ALDH1A1 (0.59) NPSR1ALDH1A1POLBTSHRSMN1; SMN2
SCHEMBL1493372 0.80 ALDH1A1 (0.55) ALDH1A1TSHRSMN1; SMN2NTRK1NTRK2
SCHEMBL1610585 0.80 ALDH1A1 (0.52) NPSR1ALDH1A1TSHRSMN1; SMN2HPGD
SCHEMBL1493454 0.77 ALDH1A1 (0.53) ALDH1A1TSHRSMN1; SMN2NTRK1NTRK2
SCHEMBL1493590 0.76 ALDH1A1 (0.51) NPSR1ALDH1A1POLBTSHRSMN1; SMN2
SCHEMBL1493457 0.76 ALDH1A1 (0.61) NPSR1ALDH1A1TSHRSMN1; SMN2HPGD

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 4 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 claimed
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 NPSR1 9/4885ALDH1A1 3233/4885POLB 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.