SCHEMBL6783477

SCHEMBL6783477

CCC(=O)NC[C@@H]1C[C@H]1c1cccc2nc(CC)oc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
MTNR1B P49286 20/20 1.00
MTNR1A P48039 19/20 1.00

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
SCHEMBL6784450 0.91 MTNR1B (0.84) MTNR1BMTNR1A
SCHEMBL6783472 0.91 MTNR1B (1.00) MTNR1BMTNR1A
SCHEMBL6786502 0.90 MTNR1B (0.81) MTNR1BMTNR1A
SCHEMBL6780444 0.89 MTNR1A (1.00) MTNR1BMTNR1A
SCHEMBL6784158 0.88 MTNR1B (0.78) MTNR1BMTNR1A
SCHEMBL6785354 0.87 MTNR1A (0.77) MTNR1BMTNR1A
SCHEMBL6786689 0.86 MTNR1B (1.00) MTNR1BMTNR1A
SCHEMBL6786690 0.85 MTNR1B (0.75) MTNR1BMTNR1A
SCHEMBL6789188 0.84 MTNR1B (0.73) MTNR1BMTNR1A
SCHEMBL6780450 0.84 MTNR1A (0.86) MTNR1BMTNR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6737431-B2 SUCH AS N-(3-(2-METHYLBENZOXAZOL-7-YL)PROPYL)PROPANAMIDE; CIRCADIAN RHYTHM RELATED DISORDERS BRISTOL-MYERS SQUIBB COMPANY 2004-05-18 US claimed
US-20030216456-A1 Benzoxazole derivatives as novel melatonergic agents BRISTOL-MYERS SQUIBB COMPANY 2003-11-20 US claimed
US-6737431-B2 SUCH AS N-(3-(2-METHYLBENZOXAZOL-7-YL)PROPYL)PROPANAMIDE; CIRCADIAN RHYTHM RELATED DISORDERS BRISTOL-MYERS SQUIBB COMPANY 2004-05-18 US disclosed
US-20030216456-A1 Benzoxazole derivatives as novel melatonergic agents BRISTOL-MYERS SQUIBB COMPANY 2003-11-20 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-20030216456-A1 Benzoxazole derivatives as novel melatonergic agents MTNR1A, MTNR1B, MC1R MTNR1B 2/4885MTNR1A 1/4885

“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.