SCHEMBL5577685

SCHEMBL5577685

COc1cccc(OC)c1CN1CCC(c2cccc(CNC(=O)c3ccc(SC)cc3)c2)CC1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.46
MEN1 O00255 4/20 0.46
CHRM3 P20309 2/20 0.45
DRD2 P14416 3/20 0.44
DRD3 P35462 1/20 0.44
CCR5 P51681 4/20 0.44
LMNA P02545 2/20 0.44
ALDH1A1 P00352 1/20 0.43
HPGD P15428 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
POLB P06746 1/20 0.43
DRD4 P21917 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
ACKR3 P25106 1/20 0.42
ROCK2 O75116 1/20 0.42

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
SCHEMBL5577658 0.94 CHRM3 (0.47) KMT2AMEN1CHRM3DRD2DRD3
SCHEMBL5577724 0.91 ACKR3 (0.50) KMT2AMEN1CHRM3DRD2DRD3
SCHEMBL5577295 0.90 SMN1; SMN2 (0.53) KMT2AMEN1CHRM3CCR5LMNA
SCHEMBL5577332 0.90 KMT2A (0.48) KMT2AMEN1CHRM3DRD2DRD3
SCHEMBL5577427 0.88 ACKR3 (0.55) KMT2ACHRM3DRD2ALDH1A1POLB
SCHEMBL5577288 0.88 CHRM3 (0.56) KMT2AMEN1CHRM3DRD2ALDH1A1
SCHEMBL5577672 0.88 KMT2A (0.51) KMT2AMEN1CHRM3CCR5LMNA
SCHEMBL5577786 0.88 MEN1 (0.50) KMT2AMEN1CHRM3DRD2ALDH1A1
SCHEMBL5577414 0.88 CHRM3 (0.48) KMT2AMEN1CHRM3DRD2LMNA
SCHEMBL5577402 0.87 MEN1 (0.56) KMT2AMEN1DRD2LMNAALDH1A1

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 KMT2A 3527/4885MEN1 748/4885CHRM3 2099/4885

“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.