SCHEMBL5577427

SCHEMBL5577427

COc1cccc(CN2CCC(c3cccc(CNC(=O)c4ccc(SC)cc4)c3)CC2)c1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ACKR3 P25106 1/20 0.55
CHRM3 P20309 2/20 0.54
DRD4 P21917 2/20 0.51
DRD2 P14416 1/20 0.51
CHRM4 P08173 1/20 0.51
ALDH1A1 P00352 2/20 0.51
GAA P10253 1/20 0.51
MMP13 P45452 2/20 0.50
CXCR3 P49682 1/20 0.50
MAOA P21397 1/20 0.49
MCHR1 Q99705 1/20 0.49
TP53 P04637 1/20 0.49
POLB P06746 1/20 0.49
KMT2A Q03164 1/20 0.49
USP5 P45974 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
SCHEMBL5577288 0.93 CHRM3 (0.56) ACKR3CHRM3DRD4DRD2CHRM4
SCHEMBL5577295 0.90 SMN1; SMN2 (0.53) CHRM3ALDH1A1GAAMCHR1POLB
SCHEMBL5577786 0.89 MEN1 (0.50) ACKR3CHRM3DRD2CHRM4ALDH1A1
SCHEMBL5577414 0.89 CHRM3 (0.48) ACKR3CHRM3DRD2CHRM4ALDH1A1
SCHEMBL5577402 0.89 MEN1 (0.56) DRD4DRD2CHRM4ALDH1A1KMT2A
SCHEMBL5577658 0.89 CHRM3 (0.47) ACKR3CHRM3DRD2CHRM4ALDH1A1
SCHEMBL5577332 0.88 KMT2A (0.48) CHRM3DRD4DRD2ALDH1A1GAA
SCHEMBL5577685 0.88 KMT2A (0.46) ACKR3CHRM3DRD4DRD2ALDH1A1
SCHEMBL5577672 0.88 KMT2A (0.51) ACKR3CHRM3CXCR3POLBKMT2A
SCHEMBL5577810 0.86 ALDH1A1 (0.56) DRD4DRD2ALDH1A1GAATP53

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 ACKR3 389/4885CHRM3 2099/4885DRD4 4092/4885

“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.