SCHEMBL6327274

SCHEMBL6327274

CCOC(=O)C1CC2CC(CN3C[C@H](O)C[C@H]3C(=O)OCC)CCC2CN1C(=O)OC(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.37
CYP3A4 P08684 6/20 0.37
CYP1A2 P05177 1/20 0.37
POLB P06746 1/20 0.37
CYP2C19 P33261 1/20 0.37
KDM4E B2RXH2 1/20 0.34
CHRM2 P08172 1/20 0.32
CHRM1 P11229 1/20 0.32
CHRM3 P20309 1/20 0.32
MAPT P10636 2/20 0.32
FKBP1A P62942 2/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
ALDH1A1 P00352 2/20 0.30
CNR2 P34972 2/20 0.30
TSHR P16473 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
SCHEMBL6328132 0.90 NR1H2 (0.37) NR1H2FKBP1AMEN1KMT2ASMN1; SMN2
SCHEMBL6335382 0.89 CYP3A4 (0.38) CYP3A4KDM4EMAPTALDH1A1
SCHEMBL6326977 0.89 CYP3A4 (0.38) CYP3A4KDM4EMAPTALDH1A1
SCHEMBL5595735 0.89 CYP3A4 (0.38) CYP3A4KDM4EMAPTALDH1A1
SCHEMBL6329218 0.87 CYP3A4 (0.41) CYP3A4KDM4EMAPTMEN1KMT2A
SCHEMBL13390583 0.84 CYP3A4 (0.42) NR1H2CYP3A4CYP1A2POLBCYP2C19
SCHEMBL3306909 0.84 CYP3A4 (0.42) NR1H2CYP3A4CYP1A2POLBCYP2C19
SCHEMBL14187650 0.84 CYP3A4 (0.42) NR1H2CYP3A4CYP1A2POLBCYP2C19
SCHEMBL9635522 0.81 POLB (0.50) NR1H2CYP3A4CYP1A2POLBCYP2C19
SCHEMBL116396 0.81 POLB (0.50) NR1H2CYP3A4CYP1A2POLBCYP2C19

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-6953805-B2 Excitatory amino acid receptor antagonists ELI LILLY AND COMPANY (US) 2005-10-11 US disclosed
US-20050170999-A1 EXCITATORY AMINO ACID RECEPTOR ANTAGONISTS FILLA SANDRA A (US) 2005-08-04 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-20050170999-A1 EXCITATORY AMINO ACID RECEPTOR ANTAGONISTS SLC1A2, SLC1A1, SLC1A3 NR1H2 863/4885CYP3A4 3320/4885CYP1A2 2214/4885

“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.