SCHEMBL1491129

SCHEMBL1491129

Nc1ccnn1Cc1ccc2c(c1)CCO2

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE8B O95263 1/20 0.52
KDM4E B2RXH2 3/20 0.49
MET P08581 1/20 0.46
ALDH1A1 P00352 2/20 0.44
PKM P14618 1/20 0.44
DYRK1A Q13627 2/20 0.43
FAAH O00519 1/20 0.41
RAB9A P51151 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
GPR52 Q9Y2T5 1/20 0.40
PRKCI P41743 1/20 0.40
MAPT P10636 1/20 0.40
POLB P06746 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
CASP3 P42574 1/20 0.39
CASP7 P55210 1/20 0.39
KDM1A O60341 1/20 0.38
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38

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
SCHEMBL17731564 0.78 PDE8B (0.53) PDE8BMETALDH1A1DYRK1AFAAH
SCHEMBL1491086 0.78 CMA1 (0.56) KDM4EALDH1A1PKMSMN1; SMN2MAPT
SCHEMBL6760429 0.75 KDM4E (0.81) KDM4EALDH1A1PKMRAB9ASMN1; SMN2
SCHEMBL1491139 0.74 KDM4E (0.64) KDM4EALDH1A1PKMRAB9ASMN1; SMN2
SCHEMBL30965 0.72 KDM4E (0.51) KDM4EDYRK1ARAB9APRKCIPOLB
SCHEMBL448730 0.72 PRKCI (0.51) PDE8BDYRK1ARAB9ASMN1; SMN2PRKCI
SCHEMBL28192271 0.71 SMN1; SMN2 (0.58) KDM4EALDH1A1FAAHSMN1; SMN2POLB
SCHEMBL1491104 0.71 KDM4E (0.58) KDM4EALDH1A1PKMSMN1; SMN2MAPT
Hydrochloric Acid SCHEMBL507189 0.71 PRKCI (0.50) DYRK1ARAB9ASMN1; SMN2PRKCIMAPT
SCHEMBL26725907 0.70 FAAH (0.55) PDE8BKDM4EALDH1A1FAAHRAB9A

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 PDE8B 3576/4885KDM4E 2955/4885MET 923/4885

“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.