SCHEMBL5577655

SCHEMBL5577655

COc1ccc(CN2CCN(c3ccccc3CNC(=O)c3cccc(Cl)c3C)C(C)C2)cc1OC

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 1/20 0.45
S1PR5 Q9H228 1/20 0.45
LMNA P02545 3/20 0.43
HPGD P15428 2/20 0.43
DRD2 P14416 3/20 0.43
DRD3 P35462 3/20 0.43
DRD4 P21917 2/20 0.43
TMEM97 Q5BJF2 2/20 0.43
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.42
KDM4E B2RXH2 3/20 0.42
ALDH1A1 P00352 3/20 0.42
ALOX15 P16050 1/20 0.42
TSHR P16473 1/20 0.42
TDP1 Q9NUW8 2/20 0.41
POLB P06746 1/20 0.41
FAAH O00519 1/20 0.40
CHRM3 P20309 1/20 0.40

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
SCHEMBL5577549 0.88 LMNA (0.48) S1PR1S1PR5LMNAHPGDDRD2
SCHEMBL5577419 0.88 LMNA (0.43) S1PR1S1PR5LMNAHPGDDRD2
SCHEMBL5577688 0.87 MT-CO2 (0.48) LMNADRD2DRD3DRD4
SCHEMBL5577568 0.87 LMNA (0.49) LMNAHPGDDRD2DRD3DRD4
SCHEMBL5577511 0.86 ACKR3 (0.49) LMNAHPGDDRD2DRD3DRD4
SCHEMBL5577774 0.85 LMNA (0.43) S1PR1S1PR5LMNAHPGDDRD2
SCHEMBL5577517 0.84 KDM4E (0.52) DRD2DRD3DRD4TMEM97KMT2A
SCHEMBL5577674 0.84 LMNA (0.44) S1PR1S1PR5LMNAHPGDDRD3
SCHEMBL5577535 0.84 S1PR1 (0.47) S1PR1S1PR5LMNADRD2DRD3
SCHEMBL5577384 0.83 ALDH1A1 (0.41) S1PR1S1PR5LMNAHPGDDRD2

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 S1PR1 1242/4885S1PR5 1475/4885LMNA 4819/4885

“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.