SCHEMBL6780450

SCHEMBL6780450

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

nearest known ligand 0.86

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 20/20 0.86
MTNR1B P49286 20/20 0.86

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 0.93 MTNR1B (0.84) MTNR1AMTNR1B
SCHEMBL6783472 0.93 MTNR1B (1.00) MTNR1AMTNR1B
SCHEMBL6786579 0.89 MTNR1A (0.86) MTNR1AMTNR1B
SCHEMBL6791262 0.89 MTNR1A (0.75) MTNR1AMTNR1B
SCHEMBL6781576 0.89 MTNR1A (0.76) MTNR1AMTNR1B
SCHEMBL6781812 0.89 MTNR1B (0.68) MTNR1AMTNR1B
SCHEMBL6784240 0.88 MTNR1A (0.67) MTNR1AMTNR1B
SCHEMBL6784336 0.86 MTNR1A (0.84) MTNR1AMTNR1B
SCHEMBL6785361 0.84 MTNR1B (0.74) MTNR1AMTNR1B
SCHEMBL6783477 0.84 MTNR1B (1.00) MTNR1AMTNR1B

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 MTNR1A 1/4885MTNR1B 2/4885

“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.