SCHEMBL7907797

SCHEMBL7907797

CC(C)(C)OC(=O)N[C@@](C)(C(N)=O)c1cccc(C(F)(F)F)c1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.48
NPSR1 Q6W5P4 1/20 0.42
KIF11 P52732 2/20 0.40
KMT2A Q03164 1/20 0.40
ALDH1A1 P00352 3/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CES2 O00748 1/20 0.40
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
PKM P14618 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
KDM4E B2RXH2 1/20 0.39
P2RX1 P51575 1/20 0.39
TP53 P04637 1/20 0.39
THRB P10828 1/20 0.39
RORC P51449 1/20 0.38

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
SCHEMBL7904824 1.00 RXFP1 (0.48) RXFP1NPSR1KIF11KMT2AALDH1A1
SCHEMBL7910019 1.00 RXFP1 (0.48) RXFP1NPSR1KIF11KMT2AALDH1A1
SCHEMBL25400472 0.88 RXFP1 (0.49) RXFP1NPSR1KMT2AL3MBTL1CES2
SCHEMBL10886335 0.84 SCN5A (0.42) LMNAMAPTPKMSMN1; SMN2KDM4E
SCHEMBL717273 0.83 MAPT (0.44) NPSR1KIF11KMT2AALDH1A1CES2
SCHEMBL718654 0.83 MAPT (0.44) NPSR1KIF11KMT2AALDH1A1CES2
SCHEMBL719029 0.83 MAPT (0.44) NPSR1KIF11KMT2AALDH1A1CES2
SCHEMBL10884040 0.83 RXFP1 (0.50) RXFP1ALDH1A1L3MBTL1MAPTRORC
SCHEMBL19265256 0.78 RXFP1 (0.48) RXFP1NPSR1KMT2AALDH1A1L3MBTL1
SCHEMBL10216897 0.78 RXFP1 (0.48) RXFP1NPSR1KMT2AALDH1A1L3MBTL1

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
US-20120053218-A1 TRIAZOLE DERIVATIVES AS VASOPRESSIN-RECEPTOR INHIBITORS FOR TREATING CARDIAC INSUFFICIENCY BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-03-01 US disclosed
US-20120053218-A1 TRIAZOLE DERIVATIVES AS VASOPRESSIN-RECEPTOR INHIBITORS FOR TREATING CARDIAC INSUFFICIENCY BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-03-01 US disclosed
WO-2010105750-A1 TRIAZOLE DERIVATIVES AS VASOPRESSIN-RECEPTOR INHIBITORS FOR TREATING CARDIAC INSUFFICIENCY BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-09-23 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-20120053218-A1 TRIAZOLE DERIVATIVES AS VASOPRESSIN-RECEPTOR INHIBITORS FOR TREATING CARDIAC INSUFFICIENCY AVPR2, AVPR1B, AVPR1A RXFP1 45/4885NPSR1 39/4885KIF11 4749/4885

“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.