SCHEMBL1491133

SCHEMBL1491133

Nc1ccnn1CCCc1ccc(C(F)(F)F)cc1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.45
KDM4E B2RXH2 1/20 0.44
FLT1 P17948 1/20 0.43
KDR P35968 1/20 0.43
MAOB P27338 1/20 0.41
HDAC1 Q13547 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HMOX1 P09601 1/20 0.37
GAA P10253 1/20 0.37
ALDH1A1 P00352 1/20 0.37
PKM P14618 1/20 0.37
IDO1 P14902 1/20 0.37
MBOAT4 Q96T53 1/20 0.36
ERBB2 P04626 1/20 0.36
MINK1 Q8N4C8 1/20 0.36
DAO P14920 1/20 0.36
FDFT1 P37268 1/20 0.36
NR3C2 P08235 1/20 0.36

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
SCHEMBL1493361 0.81 KDM4E (0.67) TAAR1KDM4EMAOBALDH1A1PKM
Hydrochloric Acid SCHEMBL22632987 0.80 KDM4E (0.65) TAAR1KDM4EMAOBALDH1A1PKM
SCHEMBL1491103 0.80 ALDH1A1 (0.49) KDM4EMAOBALDH1A1PKM
SCHEMBL1491131 0.77 FLT1 (0.42) KDM4EFLT1KDRALDH1A1PKM
SCHEMBL6755827 0.71 KDM4E (0.57) KDM4EGAAALDH1A1PKM
SCHEMBL1491105 0.69 ALDH1A1 (0.51) KDM4EFLT1KDRMAOBGAA
SCHEMBL10725199 0.69 KDM4E (0.47) KDM4EGAAALDH1A1PKM
SCHEMBL9442047 0.69 KDM4E (0.47) KDM4EGAAALDH1A1PKM
SCHEMBL27986966 0.69 KDM4E (0.47) KDM4EGAAALDH1A1PKM
SCHEMBL5498503 0.68

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 TAAR1 42/4885KDM4E 2955/4885FLT1 1713/4885

“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.