SCHEMBL6019447

SCHEMBL6019447

CCCCCN1C[C@@H](C)[C@H]2CC[C@H](C)[C@H]2C1=O

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 1/20 0.46
ALDH1A1 P00352 1/20 0.35
CNR2 P34972 3/20 0.33
CNR1 P21554 1/20 0.33
CYP19A1 P11511 5/20 0.33
EBP Q15125 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
OPRM1 P35372 1/20 0.32
CYP1A1 P04798 1/20 0.31
PTGS1 P23219 3/20 0.31
PTGS2 P35354 3/20 0.31
MGLL Q99685 2/20 0.31
FAAH O00519 1/20 0.31
L3MBTL1 Q9Y468 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
SCHEMBL6019467 0.98 GBA1 (0.48) GBA1ALDH1A1CNR2CNR1CYP19A1
SCHEMBL6020935 0.98 GBA1 (0.48) GBA1ALDH1A1CNR2CNR1CYP19A1
SCHEMBL6018789 0.95 GBA1 (0.40) GBA1ALDH1A1CYP19A1CYP1A1L3MBTL1
SCHEMBL6019260 0.89 GBA1 (0.33) GBA1
SCHEMBL6019489 0.82
SCHEMBL6019516 0.74 MAPT (0.33) ALDH1A1L3MBTL1
SCHEMBL6018757 0.74 CHRM2 (0.33)
SCHEMBL6018783 0.73
SCHEMBL14145881 0.69 GBA1 (0.44) GBA1ALDH1A1CNR2CNR1CYP19A1
SCHEMBL8293296 0.68 GBA1 (0.47) GBA1ALDH1A1CNR2CNR1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060228387-A1 Dihydronepetalactams and N-substituted derivatives thereof E. I. DU PONT DE NEMOURS AND COMPANY 2006-10-12 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-20060228387-A1 Dihydronepetalactams and N-substituted derivatives thereof NOTCH4, NRDC, BPHL GBA1 3079/4885ALDH1A1 2823/4885CNR2 3731/4885

“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.