SCHEMBL5577355

SCHEMBL5577355

COc1ccc(CN2CCC(c3ccc(CNC(=O)c4ccccc4)cc3)CC2)c(OC)c1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 4/20 0.54
PTBP1 P26599 1/20 0.53
ALDH1A1 P00352 3/20 0.52
KDM4E B2RXH2 2/20 0.52
TDP1 Q9NUW8 2/20 0.52
GAA P10253 1/20 0.52
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
NAMPT P43490 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
POLB P06746 1/20 0.51
BCHE P06276 1/20 0.50
ACHE P22303 1/20 0.50
MAOA P21397 1/20 0.49
SIGMAR1 Q99720 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
TSHR P16473 1/20 0.49
CHRM4 P08173 1/20 0.49

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
SCHEMBL5577337 0.94 TSHR (0.56) PTBP1ALDH1A1TDP1MEN1KMT2A
SCHEMBL5577471 0.92 MEN1 (0.58) PTBP1ALDH1A1KDM4ETDP1MEN1
SCHEMBL5577498 0.91 DRD2 (0.53) PTBP1ALDH1A1KDM4ETDP1GAA
SCHEMBL5577336 0.91 ALDH1A1 (0.54) PTBP1ALDH1A1TDP1GAAMEN1
SCHEMBL5577541 0.90 PTBP1 (0.50) PTBP1ALDH1A1KDM4ETDP1GAA
SCHEMBL5577301 0.89 ALDH1A1 (0.51) PTBP1ALDH1A1KDM4ETDP1GAA
SCHEMBL5577689 0.85 CCR5 (0.61) CCR5ALDH1A1GAAMEN1KMT2A
SCHEMBL5577770 0.84 MEN1 (0.53) PTBP1ALDH1A1KDM4ETDP1GAA
SCHEMBL5577613 0.84 MEN1 (0.53) PTBP1ALDH1A1KDM4ETDP1GAA
SCHEMBL5577635 0.82 TSHR (0.71) ALDH1A1KDM4EMEN1KMT2ABCHE

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 CCR5 183/4885PTBP1 1360/4885ALDH1A1 1147/4885

“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.