SCHEMBL5405759

SCHEMBL5405759

Cc1cccc2c1OCC(N)C(=O)N2C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AADAT Q8N5Z0 5/20 0.44
RIPK1 Q13546 4/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
OPRM1 P35372 1/20 0.35
OPRK1 P41145 1/20 0.35
OPRL1 P41146 1/20 0.35
GABRP O00591 1/20 0.33
GABRD O14764 1/20 0.33
GABRA1 P14867 1/20 0.33
GABRB1 P18505 1/20 0.33
GABRG2 P18507 1/20 0.33
GABRB3 P28472 1/20 0.33
GABRA5 P31644 1/20 0.33
GABRA3 P34903 1/20 0.33
GABRA2 P47869 1/20 0.33
GABRB2 P47870 1/20 0.33
GABRA4 P48169 1/20 0.33
GABRE P78334 1/20 0.33
GABRA6 Q16445 1/20 0.33
GABRG1 Q8N1C3 1/20 0.33

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
SCHEMBL5405752 1.00 AADAT (0.44) AADATRIPK1L3MBTL1OPRM1OPRK1
SCHEMBL1562387 0.87 AADAT (0.43) AADATRIPK1GABRPGABRDGABRA1
SCHEMBL1562386 0.87 AADAT (0.43) AADATRIPK1GABRPGABRDGABRA1
SCHEMBL1561550 0.84 RIPK1 (0.44) AADATRIPK1GABRPGABRDGABRA1
SCHEMBL1561549 0.84 RIPK1 (0.44) AADATRIPK1GABRPGABRDGABRA1
Hydrochloric Acid SCHEMBL19207975 0.83 RIPK1 (0.43) AADATRIPK1GABRPGABRDGABRA1
SCHEMBL1562721 0.81 AADAT (0.40) AADATRIPK1
SCHEMBL1562719 0.81 AADAT (0.40) AADATRIPK1
SCHEMBL19224570 0.81 RIPK1 (0.46) AADATRIPK1
Hydrochloric Acid SCHEMBL28706575 0.80 RIPK1 (0.46) AADATRIPK1

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-7211573-B2 Malonamide derivatives HOFFMANN-LA ROCHE INC. (US) 2007-05-01 US disclosed
US-20060122168-A1 Malonamide derivatives F. HOFFMANN-LA ROCHE AG (CH) 2006-06-08 US 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-20060122168-A1 Malonamide derivatives ACE, REN, ME1 AADAT 510/4885RIPK1 3388/4885L3MBTL1 2396/4885

“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.