SCHEMBL1491103

SCHEMBL1491103

Nc1ccnn1CCCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.49
PKM P14618 1/20 0.49
KDM4E B2RXH2 1/20 0.46
SIGMAR1 Q99720 8/20 0.46
ADORA2A P29274 1/20 0.44
ADORA1 P30542 1/20 0.44
MAOB P27338 2/20 0.44
POLB P06746 2/20 0.44
GSK3A P49840 1/20 0.42
GSK3B P49841 1/20 0.42
MAOA P21397 1/20 0.41

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
SCHEMBL1491105 0.89 ALDH1A1 (0.51) ALDH1A1PKMKDM4ESIGMAR1ADORA2A
SCHEMBL1491133 0.80 TAAR1 (0.45) ALDH1A1PKMKDM4EMAOB
SCHEMBL1491131 0.80 FLT1 (0.42) ALDH1A1PKMKDM4ESIGMAR1ADORA2A
SCHEMBL568868 0.78 KDM4E (0.72) ALDH1A1PKMKDM4EPOLB
SCHEMBL27546858 0.75 GSK3A (0.49) ALDH1A1PKMSIGMAR1GSK3AGSK3B
SCHEMBL10725199 0.74 KDM4E (0.47) ALDH1A1PKMKDM4EPOLB
SCHEMBL27986966 0.74 KDM4E (0.47) ALDH1A1PKMKDM4EPOLB
SCHEMBL9442047 0.74 KDM4E (0.47) ALDH1A1PKMKDM4EADORA2AADORA1
SCHEMBL27663557 0.73 CES1 (0.47) ALDH1A1
SCHEMBL438493 0.73 KDM4E (0.46) ALDH1A1PKMKDM4E

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 ALDH1A1 3233/4885PKM 2177/4885KDM4E 2955/4885

“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.