SCHEMBL6020935

SCHEMBL6020935

CCCCCCN1C[C@@H](C)[C@H]2CC[C@H](C)[C@H]2C1=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 2/20 0.48
ALDH1A1 P00352 2/20 0.37
CNR2 P34972 3/20 0.35
CNR1 P21554 1/20 0.35
EBP Q15125 1/20 0.35
SIGMAR1 Q99720 1/20 0.35
CYP19A1 P11511 5/20 0.34
PTGS1 P23219 3/20 0.33
PTGS2 P35354 3/20 0.33
MGLL Q99685 3/20 0.33
FAAH O00519 2/20 0.33
OPRM1 P35372 1/20 0.33
TP53 P04637 1/20 0.33
HSP90AA1 P07900 1/20 0.33
CYP3A4 P08684 1/20 0.33
G6PD P11413 1/20 0.33
HPGD P15428 1/20 0.33
ALOX15 P16050 1/20 0.33
TSHR P16473 1/20 0.33
HIF1A Q16665 1/20 0.33

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 1.00 GBA1 (0.48) GBA1ALDH1A1CNR2CNR1EBP
SCHEMBL6019447 0.98 GBA1 (0.46) GBA1ALDH1A1CNR2CNR1EBP
SCHEMBL6018789 0.94 GBA1 (0.40) GBA1ALDH1A1CYP19A1TP53CYP3A4
SCHEMBL6019260 0.88 GBA1 (0.33) GBA1
SCHEMBL26634736 0.69 GBA1 (0.57) GBA1ALDH1A1CNR2CNR1EBP
SCHEMBL5754928 0.69 CNR2 (0.46) GBA1CNR2CNR1CYP19A1
SCHEMBL28740068 0.68 PIK3CD (0.51) GBA1ALDH1A1PTGS1PTGS2MGLL
SCHEMBL30697352 0.68 PIK3CD (0.51) GBA1ALDH1A1PTGS1PTGS2MGLL
SCHEMBL14145881 0.68 GBA1 (0.44) GBA1ALDH1A1CNR2CNR1CYP19A1
Bromide SCHEMBL27981325 0.67 PIK3CD (0.50) GBA1ALDH1A1PTGS1PTGS2MGLL

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.