SCHEMBL5577394

SCHEMBL5577394

Cn1cccc1C(=O)NCc1ccccc1N1CCN(Cc2ccc(F)cc2)CC1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.49
MAPK1 P28482 1/20 0.48
ADRA1D P25100 1/20 0.47
ADRA1A P35348 1/20 0.47
ADRA1B P35368 1/20 0.47
LIPG Q9Y5X9 2/20 0.46
EPHX2 P34913 1/20 0.45
HDAC3 O15379 1/20 0.45
HDAC4 P56524 1/20 0.45
HDAC1 Q13547 1/20 0.45
HDAC7 Q8WUI4 1/20 0.45
HDAC2 Q92769 1/20 0.45
HDAC10 Q969S8 1/20 0.45
HDAC8 Q9BY41 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
HDAC5 Q9UQL6 1/20 0.45
NPY2R P49146 1/20 0.45
DRD2 P14416 5/20 0.43
DRD4 P21917 3/20 0.43
HTR1A P08908 1/20 0.43

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
SCHEMBL5577434 0.83 MAPK1 (0.51) MAPK1LIPGNPY2RDRD2DRD4
SCHEMBL5577767 0.80 MAPK1 (0.62) MAPK1ADRA1DADRA1AADRA1BDRD2
SCHEMBL5577639 0.80 LMNA (0.61) MAPK1LIPGDRD2HTR1A
SCHEMBL5577597 0.79 DRD2 (0.52) MAPK1NPY2RDRD2DRD4DRD3
SCHEMBL5577456 0.79 KMT2A (0.53) MAPK1ADRA1DADRA1AADRA1BNPY2R
SCHEMBL5577433 0.78 DRD2 (0.53) MAPK1ADRA1DADRA1AADRA1BDRD2
SCHEMBL5577445 0.78 CHRM3 (0.51) MAPK1EPHX2SIGMAR1
SCHEMBL5577447 0.78 MAPK1 (0.59) MAPK1DRD2DRD4HTR1ADRD3
SCHEMBL5577895 0.78 DRD2 (0.53) ADRA1DADRA1AADRA1BDRD2DRD4
SCHEMBL5656075 0.77 HDAC6 (0.71) CNR2LIPGHDAC3HDAC4HDAC1

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-20070043079-A1 Heterocyclic compound containing nitrogen atom and use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2007-02-22 US disclosed
EP-1616862-A1 NITROGENOUS HETEROCYCLIC COMPOUND AND USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2006-01-18 EP 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-20070043079-A1 Heterocyclic compound containing nitrogen atom and use thereof HLA-DRB1, MIF, HLA-C CNR2 816/4885MAPK1 592/4885ADRA1D 2107/4885

“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.