SCHEMBL6078161

SCHEMBL6078161

CCOC(C(=O)NCc1ccc(C#N)cc1NCc1ccccc1F)N1Cc2c(C)cccc2C1=O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC1A2 P43004 1/20 0.35
SDCBP O00560 1/20 0.34
SDC2 P34741 1/20 0.34
PDCD1 Q15116 2/20 0.33
CD274 Q9NZQ7 2/20 0.33
GPR6 P46095 1/20 0.33
LMNA P02545 2/20 0.32
ALDH1A1 P00352 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
BDKRB1 P46663 3/20 0.32
KDM4E B2RXH2 1/20 0.32
TP53 P04637 1/20 0.32
VHL P40337 1/20 0.32
TDP1 Q9NUW8 1/20 0.31
PDE1A P54750 1/20 0.31
PDE1B Q01064 1/20 0.31
PDE1C Q14123 1/20 0.31
THRB P10828 1/20 0.31
ENPP2 Q13822 1/20 0.31
AR P10275 1/20 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
SCHEMBL6078168 1.00 SLC1A2 (0.35) SLC1A2SDCBPSDC2PDCD1CD274
SCHEMBL6077453 0.86 F10 (0.36) SLC1A2LMNAALDH1A1SMN1; SMN2BDKRB1
SCHEMBL6077467 0.86 F10 (0.36) SLC1A2LMNAALDH1A1SMN1; SMN2BDKRB1
SCHEMBL6078352 0.86 SDCBP (0.34) SDCBPSDC2LMNAVHL
SCHEMBL6078343 0.86 SDCBP (0.34) SDCBPSDC2LMNAVHL
Acetic Acid SCHEMBL6077426 0.85 F10 (0.35) SLC1A2LMNAALDH1A1SMN1; SMN2BDKRB1
SCHEMBL6078094 0.84 GABRA1 (0.34) SDCBPSDC2
SCHEMBL6078103 0.84 GABRA1 (0.34) SDCBPSDC2
SCHEMBL6029006 0.84 VHL (0.35) SDCBPSDC2LMNABDKRB1VHL
SCHEMBL6029778 0.83 SLC1A2 (0.37) SLC1A2PDCD1CD274GPR6BDKRB1

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-7056932-B2 Heterocyclyl substituted 1-alkoxy acetic acid amides HOFFMAN-LA ROCHE INC. (US) 2006-06-06 US disclosed
US-20050137168-A1 Heterocyclyl substituted 1-alkoxy acetic acid amides HOFFMANN-LA ROCHE INC. 2005-06-23 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-20050137168-A1 Heterocyclyl substituted 1-alkoxy acetic acid amides F12, TFPI, F11 SLC1A2 2506/4885SDCBP 4822/4885SDC2 2144/4885

“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.