SCHEMBL1612083

SCHEMBL1612083

CCc1cccc(CC)c1-n1nnnc1CCC(=O)Nc1ccnn1Cc1ccc(OC)cc1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
THRB P10828 2/20 0.42
MAPT P10636 4/20 0.40
ALDH1A1 P00352 3/20 0.39
HTT P42858 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TP53 P04637 4/20 0.39
LMNA P02545 2/20 0.39
ERCC5 P28715 1/20 0.38
FEN1 P39748 1/20 0.38
PKM P14618 1/20 0.38
POLB P06746 1/20 0.37
MAPK1 P28482 1/20 0.37
NPSR1 Q6W5P4 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
SCHEMBL1493574 0.91 TP53 (0.41) THRBMAPTALDH1A1HTTSMN1; SMN2
SCHEMBL1612000 0.91 HTT (0.45) THRBMAPTALDH1A1HTTSMN1; SMN2
SCHEMBL1612925 0.87 SMN1; SMN2 (0.47) THRBMAPTALDH1A1HTTSMN1; SMN2
SCHEMBL1493469 0.86 MAPT (0.44) THRBMAPTALDH1A1HTTSMN1; SMN2
SCHEMBL1493570 0.85 TP53 (0.38) THRBMAPTALDH1A1HTTSMN1; SMN2
SCHEMBL1493414 0.85 HSD11B1 (0.45) THRBMAPTALDH1A1HTTSMN1; SMN2
SCHEMBL1493310 0.84 ALDH1A1 (0.42) THRBMAPTALDH1A1HTTSMN1; SMN2
SCHEMBL1611787 0.84 ALDH1A1 (0.54) ALDH1A1HTTLMNAMAPK1
SCHEMBL1493380 0.82 MAPT (0.45) THRBMAPTALDH1A1HTTTP53
SCHEMBL1612937 0.80 ALDH1A1 (0.51) MAPTALDH1A1HTTSMN1; SMN2LMNA

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 2 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

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 THRB 125/4885MAPT 1288/4885ALDH1A1 3233/4885

“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.