SCHEMBL4969805

SCHEMBL4969805

CC(=O)N(C)C1CC(C(=O)O)C1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APLNR P35414 1/20 0.39
CYP2C19 P33261 2/20 0.32
GABRR1 P24046 1/20 0.32
DPP4 P27487 3/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2D6 P10635 1/20 0.31
ALOX15 P16050 1/20 0.31
SLC1A3 P43003 1/20 0.31
SLC1A2 P43004 1/20 0.31
SLC1A1 P43005 1/20 0.31
DPP8 Q6V1X1 2/20 0.31
DPP9 Q86TI2 1/20 0.31
DPP7 Q9UHL4 1/20 0.31
GABRP O00591 1/20 0.30
GABRD O14764 1/20 0.30
GABRA1 P14867 1/20 0.30
TSHR P16473 1/20 0.30
GABRB1 P18505 1/20 0.30
GABRG2 P18507 1/20 0.30
GABRB3 P28472 1/20 0.30

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
SCHEMBL20625308 0.85 ACE (0.36) APLNRGABRR1DPP4DPP8DPP9
SCHEMBL23389396 0.85 ACE (0.36) APLNRGABRR1DPP4DPP8DPP9
SCHEMBL25897888 0.83 DPP4 (0.35) DPP4DPP8DPP9DPP7TSHR
SCHEMBL1345151 0.80 LMNA (0.39) APLNRCYP2C19DPP4DPP8DPP9
SCHEMBL24131650 0.80 LMNA (0.39) APLNRCYP2C19DPP4DPP8DPP9
SCHEMBL2943478 0.80 LMNA (0.39) APLNRCYP2C19DPP4DPP8DPP9
SCHEMBL24161967 0.78 APLNR (0.39) APLNRCYP2C19GABRR1CYP1A2CYP2D6
SCHEMBL10046702 0.78 APLNR (0.39) APLNRCYP2C19GABRR1CYP1A2CYP2D6
SCHEMBL22539870 0.76 DPP4 (0.33) DPP4DPP8DPP9DPP7
SCHEMBL16051732 0.76 DPP4 (0.33) DPP4DPP8DPP9DPP7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1987035-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS F.HOFFMANN-LA ROCHE AG (CH) 2008-11-05 EP claimed
WO-2007093515-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS F. HOFFMANN LA-ROCHE AG (CH) 2007-08-23 WO claimed
US-20070191406-A1 Heterocyclic antiviral compounds ROCHE PALO ALTO LLC 2007-08-16 US claimed
EP-1987035-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS F.HOFFMANN-LA ROCHE AG (CH) 2008-11-05 EP disclosed
WO-2007093515-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS F. HOFFMANN LA-ROCHE AG (CH) 2007-08-23 WO disclosed
US-20070191406-A1 Heterocyclic antiviral compounds ROCHE PALO ALTO LLC 2007-08-16 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-20070191406-A1 Heterocyclic antiviral compounds CCR5, CX3CR1, CXCR1 APLNR 350/4885CYP2C19 1887/4885GABRR1 387/4885

“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.