SCHEMBL3462001

SCHEMBL3462001

CC(=O)Cl.N=C(N)NCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)C(N)Cc1ccccc1)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
F2 P00734 1/20 0.55
OPRM1 P35372 5/20 0.53
OPRD1 P41143 3/20 0.53
OPRK1 P41145 2/20 0.53
NPFFR1 Q9GZQ6 2/20 0.51
NPFFR2 Q9Y5X5 2/20 0.51

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
SCHEMBL1053800 1.00 F2 (0.55) F2OPRM1OPRD1OPRK1NPFFR1
SCHEMBL4960887 1.00 F2 (0.55) F2OPRM1OPRD1OPRK1NPFFR1
SCHEMBL6026166 1.00 F2 (0.55) F2OPRM1OPRD1OPRK1NPFFR1
SCHEMBL28204655 1.00 F2 (0.55) F2OPRM1OPRD1OPRK1NPFFR1
SCHEMBL2119635 0.97 F2 (0.57) F2OPRM1OPRD1OPRK1NPFFR1
SCHEMBL2778546 0.97 F2 (0.57) F2OPRM1OPRD1OPRK1NPFFR1
SCHEMBL6850160 0.97 F2 (0.57) F2OPRM1OPRD1OPRK1NPFFR1
SCHEMBL6497247 0.97 F2 (0.57) F2OPRM1OPRD1OPRK1NPFFR1
SCHEMBL2778544 0.97 F2 (0.57) F2OPRM1OPRD1OPRK1NPFFR1
SCHEMBL9314374 0.94 F2 (0.54) F2OPRM1OPRD1OPRK1NPFFR1

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-20120196884-A1 UREA SUBSTITUTED SULPHONAMIDE DERIVATIVES BIOTIE THERAPIES CORPORATION (FI) 2012-08-02 US disclosed
WO-2010146236-A1 UREA SUBSTITUTED SULPHONAMIDE DERIVATIVES BIOTIE THERAPIES CORP. (FI) 2010-12-23 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-20120196884-A1 UREA SUBSTITUTED SULPHONAMIDE DERIVATIVES ITGA1, ITGB1, ITGA2B F2 188/4885OPRM1 751/4885OPRD1 526/4885

“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.