SCHEMBL5577374

SCHEMBL5577374

COc1ccc(CN2CCN(c3ncccc3CNC(=O)c3ccc(Cl)cc3)CC2)cc1OC

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN2A Q99250 2/20 0.51
SCN10A Q9Y5Y9 2/20 0.51
MAPT P10636 3/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
ALDH1A1 P00352 3/20 0.50
LMNA P02545 2/20 0.50
USP2 O75604 1/20 0.50
HPGD P15428 1/20 0.50
HSD17B10 Q99714 1/20 0.50
GAA P10253 1/20 0.49
DRD2 P14416 4/20 0.48
DRD3 P35462 4/20 0.48
ACKR3 P25106 1/20 0.48
MCHR1 Q99705 1/20 0.48
DRD4 P21917 2/20 0.47
ACHE P22303 1/20 0.47
BACE1 P56817 1/20 0.47
CXCR3 P49682 1/20 0.47
KDM4E B2RXH2 1/20 0.46
CCR3 P51677 1/20 0.46

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
SCHEMBL5577763 0.97 SCN2A (0.53) SCN2ASCN10AMAPTSMN1; SMN2ALDH1A1
SCHEMBL5577557 0.87 SCN2A (0.46) SCN2ASCN10AMAPTSMN1; SMN2ALDH1A1
SCHEMBL5577347 0.87 GAA (0.46) SCN2ASCN10AMAPTSMN1; SMN2ALDH1A1
SCHEMBL5577621 0.85 LMNA (0.47) MAPTALDH1A1LMNADRD2DRD3
SCHEMBL5577845 0.85 ACKR3 (0.53) MAPTSMN1; SMN2ALDH1A1LMNAGAA
SCHEMBL5577645 0.85 SCN10A (0.54) SCN2ASCN10AMAPTMCHR1CXCR3
SCHEMBL5577424 0.84 DRD2 (0.48) MAPTSMN1; SMN2ALDH1A1LMNAUSP2
SCHEMBL5577320 0.83 DRD2 (0.58) SCN2ASCN10AMAPTSMN1; SMN2ALDH1A1
SCHEMBL5577679 0.83 GAA (0.49) MAPTSMN1; SMN2ALDH1A1LMNAUSP2
SCHEMBL5577317 0.83 GAA (0.51) MAPTSMN1; SMN2ALDH1A1LMNAUSP2

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 SCN2A 3455/4885SCN10A 3595/4885MAPT 449/4885

“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.