SCHEMBL6696823

SCHEMBL6696823

CC(C)(O)C(C)(C)OB(O)c1ccc(N2CCN(Cc3ccccc3)CC2)c(CO)c1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CHRM4 P08173 1/20 0.45
NPY2R P49146 1/20 0.42
NCF1 P14598 1/20 0.40
DRD4 P21917 6/20 0.40
DRD2 P14416 4/20 0.40
DRD3 P35462 4/20 0.40
HRH1 P35367 1/20 0.40
PRMT1 Q99873 1/20 0.40
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
CASP1 P29466 1/20 0.38
CASP5 P51878 1/20 0.38
HTR7 P34969 1/20 0.37
RORC P51449 1/20 0.36
SIGMAR1 Q99720 1/20 0.36

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
SCHEMBL6696511 0.86 NPY2R (0.45) NPY2RNCF1DRD4DRD2DRD3
SCHEMBL1128637 0.75 MEN1 (0.48) CHRM4DRD4DRD2
SCHEMBL2509532 0.74 MC4R (0.44) NCF1ALDH1A1LMNASIGMAR1
SCHEMBL18580511 0.74 ALDH1A1 (0.48) ALDH1A1LMNASIGMAR1
SCHEMBL3584969 0.73 ALDH1A1 (0.47) NCF1ALDH1A1LMNA
SCHEMBL3757693 0.73 ALDH1A1 (0.45) ALDH1A1
SCHEMBL17159943 0.72 CHKA (0.53) NCF1ALDH1A1LMNA
Hydrochloric Acid SCHEMBL1851425 0.72 ALDH1A1 (0.44) ALDH1A1
SCHEMBL12802187 0.71 NCF1 (0.47) NCF1ALDH1A1
SCHEMBL2454168 0.71 DRD4 (0.63) NCF1DRD4DRD2DRD3ALDH1A1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040235792-A1 Serine protease inhibitors compromising a hydrogen-bond acceptor TRIGEN LIMITED (GB) 2004-11-25 US disclosed
WO-2002057273-A9 SERINE PROTEASE INHIBITORS COMPRISING A HYDROGEN-BOND ACCEPTOR TRIGEN LTD (GB) 2002-11-28 WO disclosed
WO-2002057273-A1 SERINE PROTEASE INHIBITORS COMPRISING A HYDROGEN-BOND ACCEPTOR TRIGEN LIMITED (GB) 2002-07-25 WO 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-20040235792-A1 Serine protease inhibitors compromising a hydrogen-bond acceptor SERPINB1, SPINT2, CTRL CHRM4 4838/4885NPY2R 2744/4885NCF1 600/4885

“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.