SCHEMBL1491099

SCHEMBL1491099

Nc1ccnn1-c1ccnc2cc(Cl)ccc12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 2/20 0.55
SOS2 Q07890 1/20 0.55
PKM P14618 1/20 0.55
ALOX15 P16050 1/20 0.55
CASP1 P29466 1/20 0.55
HSD17B10 Q99714 1/20 0.55
CHKA P35790 1/20 0.54
KMT2A Q03164 4/20 0.51
ADRB2 P07550 1/20 0.51
NCF1 P14598 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
CYP3A4 P08684 1/20 0.48
CHRM1 P11229 1/20 0.48
DRD3 P35462 1/20 0.48
OPRK1 P41145 1/20 0.48
PDE4D Q08499 1/20 0.48
KCNH2 Q12809 1/20 0.48
PDE3A Q14432 1/20 0.48
HRH3 Q9Y5N1 1/20 0.48
MEN1 O00255 3/20 0.47

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
SCHEMBL6087464 0.80 NR4A2 (0.56) NR4A2SOS2PKMALOX15CASP1
SCHEMBL7744884 0.75 PKM (0.47) NR4A2SOS2PKMALOX15CASP1
SCHEMBL5178662 0.74 LMNA (0.43) PKMKMT2ACYP3A4OPRK1MEN1
SCHEMBL15428572 0.74 POLB (0.43) KMT2ACYP3A4PDE4DMEN1MAPT
SCHEMBL13891514 0.73 PKM (0.88) PKMALOX15CASP1HSD17B10CHKA
SCHEMBL596040 0.72 NR4A2 (1.00) NR4A2SOS2PKMALOX15CASP1
SCHEMBL17861345 0.72 POLB (0.41) ALOX15KMT2ATDP1CYP3A4MEN1
SCHEMBL17844085 0.72 MAPK14 (0.43) CYP3A4ALDH1A1
SCHEMBL8871972 0.72 PKM (0.56) NR4A2SOS2PKMALOX15CASP1
SCHEMBL17327869 0.71 PKM (1.00) PKMALOX15CASP1HSD17B10CHKA

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
CN-102056920-A Tetrazole compounds as orexin receptor antagonists ACTELION PHARMACEUTICALS LTD 2011-05-11 CN disclosed
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 NR4A2 339/4885SOS2 2452/4885PKM 2177/4885

“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.