SCHEMBL5177650

SCHEMBL5177650

COc1cccc(C(=O)NCc2ccc(C#N)cc2O)c1

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.60
GAA P10253 1/20 0.60
MMP13 P45452 2/20 0.55
RAB9A P51151 1/20 0.55
DRD2 P14416 4/20 0.52
DRD3 P35462 4/20 0.52
DRD4 P21917 3/20 0.52
TMEM97 Q5BJF2 1/20 0.50
LMNA P02545 1/20 0.50
DRD1 P21728 1/20 0.50
DRD5 P21918 1/20 0.50
EPHX2 P34913 2/20 0.49
PLAU P00749 1/20 0.48
TSHR P16473 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47

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
SCHEMBL5177347 0.86 DRD2 (0.50) RAB9ADRD2DRD3DRD4DRD1
SCHEMBL5187761 0.84 DRD2 (0.51) HPGDGAADRD2DRD3DRD4
SCHEMBL5900971 0.84 DDR1 (0.55) HPGDGAARAB9ADRD2DRD3
SCHEMBL5178413 0.84 DRD2 (0.54) HPGDDRD2DRD3DRD4DRD1
SCHEMBL5177140 0.83 MEN1 (0.51) HPGDDRD2DRD3DRD4TMEM97
SCHEMBL5900654 0.82 HPGD (0.58) HPGDGAAMMP13RAB9ADRD2
SCHEMBL5177817 0.81 SMPD1 (0.53) HPGDRAB9ADRD2DRD3LMNA
SCHEMBL5186845 0.78 EPHX2 (0.53) DRD2DRD3DRD4EPHX2
SCHEMBL5176636 0.78 DRD2 (0.44) DRD2DRD3DRD4EPHX2
SCHEMBL5187787 0.77 DRD2 (0.42) DRD2DRD3DRD4EPHX2

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
EP-1791810-A1 4-AMINOMETHYL BENZAMIDINE DERIVATIVES AND THEIR USE AS FACTOR VIIA INHIBITORS F. Hoffmann-Roche AG (CH) 2007-06-06 EP disclosed
US-20060116410-A1 4-Aminomethyl benzamidine derivatives HOFFMANN-LA ROCHE INC. 2006-06-01 US disclosed
WO-2006027135-A1 4-AMINOMETHYL BENZAMIDINE DERIVATIVES AND THEIR USE AS FACTOR VIIIA INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2006-03-16 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-20060116410-A1 4-Aminomethyl benzamidine derivatives F7, HABP2, F12 HPGD 1587/4885GAA 890/4885MMP13 321/4885

“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.