SCHEMBL1609203

SCHEMBL1609203

O=C(NC1CC1)C1CN(OC(=O)C(F)(F)F)CCO1

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.39
MAP4K4 O95819 1/20 0.34
POLB P06746 1/20 0.33
USP30 Q70CQ3 1/20 0.31
DRD2 P14416 4/20 0.31
DRD3 P35462 4/20 0.31
HTR1A P08908 1/20 0.31
HTR2A P28223 3/20 0.31

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
SCHEMBL1609526 0.82 EPHX2 (0.39)
SCHEMBL28172122 0.79 EIF2AK4 (0.32) PIK3CD
SCHEMBL2018904 0.78 ALDH1A1 (0.43) PIK3CD
SCHEMBL2146182 0.77 EPHX2 (0.45)
SCHEMBL3011888 0.74 POLB (0.37) POLB
SCHEMBL610387 0.74 ALDH1A1 (0.50) PIK3CDPOLB
SCHEMBL23628600 0.73 TLR9 (0.42)
SCHEMBL3925360 0.73 PDK1 (0.36)
SCHEMBL2810123 0.71 EPHX1 (0.48) POLBUSP30
SCHEMBL1437590 0.71 EPHX2 (0.49)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110086853-A1 Therapeutic Compounds BROWN WILLIAM 2011-04-14 US disclosed
US-7615642-B2 Therapeutic compounds ASTRAZENECA AB (SE) 2009-11-10 US disclosed
EP-2010526-A1 BENZIMIDAZOLE 5-SULFONAMIDE DERIVATIVES AS CANNABINOID 1 (CB1) RECEPTOR LIGANDS AstraZeneca AB (SE) 2009-01-07 EP disclosed
WO-2007120101-A1 BENZIMIDAZOLE 5-SULFONAMIDE DERIVATIVES AS CANNABINOID 1 (CB1) RECEPTOR LIGANDS ASTRAZENECA AB (SE) 2007-10-25 WO disclosed
US-20070244092-A1 N-Cyclopropyl-1-{[2-(1,1-difluoroethyl)-1-(tetrahydro-2H-pyran-4-ylmethyl)-1H-benzimidazol-5-yl]sulfonyl}-1H-pyrrole-3-carboxamide; for pain management ASTRAZENECA AB (SE) 2007-10-18 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 (2 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-20110086853-A1 Therapeutic Compounds OPRL1, F12, F3 PIK3CD 4654/4885MAP4K4 2887/4885POLB 4649/4885
US-20070244092-A1 N-Cyclopropyl-1-{[2-(1,1-difluoroethyl)-1-(tetrahydro-2H-pyran-4-ylmethyl)-1H-benzimidazol-5-yl]sulfonyl}-1H-pyrrole-3-carboxamide; for pain management OPRM1, OPRL1, OPRK1 PIK3CD 4450/4885MAP4K4 2398/4885POLB 4612/4885

“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.