SCHEMBL6077622

SCHEMBL6077622

CCO[C@@H](C(=O)NCc1ccc(C#N)cc1OCC(N)=O)N1Cc2c(C)cccc2C1=O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F10 P00742 1/20 0.35
CYP11B1 P15538 1/20 0.34
CYP11B2 P19099 1/20 0.34
MGLL Q99685 1/20 0.33
TNF P01375 1/20 0.33
ENPP2 Q13822 2/20 0.33
GABRA1 P14867 1/20 0.32
GABRG2 P18507 1/20 0.32
GABRB3 P28472 1/20 0.32
GABRA5 P31644 1/20 0.32
GABRA3 P34903 1/20 0.32
GABRA2 P47869 1/20 0.32
PDCD1 Q15116 8/20 0.32
CD274 Q9NZQ7 8/20 0.32
FFAR1 O14842 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
PKM P14618 1/20 0.31
JAK2 O60674 1/20 0.31
JAK1 P23458 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
SCHEMBL6030782 1.00 F10 (0.35) F10CYP11B1CYP11B2MGLLTNF
SCHEMBL6078103 0.88 GABRA1 (0.34) TNFGABRA1GABRG2GABRB3GABRA5
SCHEMBL6078094 0.88 GABRA1 (0.34) TNFGABRA1GABRG2GABRB3GABRA5
SCHEMBL6077403 0.87 F10 (0.47) F10ALDH1A1LMNAPKMKDM4E
SCHEMBL6077384 0.87 F10 (0.47) F10ALDH1A1LMNAPKMKDM4E
SCHEMBL6078343 0.87 SDCBP (0.34) TNFGABRA1GABRG2GABRB3GABRA5
SCHEMBL6078352 0.87 SDCBP (0.34) TNFGABRA1GABRG2GABRB3GABRA5
Acetic Acid SCHEMBL6077968 0.85 F10 (0.45) F10ALDH1A1LMNAPKM
SCHEMBL6078742 0.83 PDCD1 (0.33) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL6078733 0.83 PDCD1 (0.33) GABRA1GABRG2GABRB3GABRA5GABRA3

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 F10 8/4885CYP11B1 1432/4885CYP11B2 1924/4885

“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.