SCHEMBL6785451

SCHEMBL6785451

CCC(=O)NCCCc1cccc(NC(=O)OC(C)(C)C)c1O

nearest known ligand 0.50

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 11/20 0.45
MTNR1B P49286 11/20 0.45
NQO2 P16083 1/20 0.42

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
SCHEMBL6784474 0.88 MTNR1A (0.44) MTNR1AMTNR1BNQO2
SCHEMBL6787623 0.86 CYP2D6 (0.46) MTNR1AMTNR1BNQO2
SCHEMBL27660942 0.81 NQO2 (0.40) NQO2
SCHEMBL27309736 0.79 CTSS (0.42) NQO2
SCHEMBL7217624 0.78 NQO2 (0.41) NQO2
SCHEMBL28736190 0.75 NR1H4 (0.45) NQO2
SCHEMBL27433809 0.75 NQO2 (0.39) NQO2
SCHEMBL27983901 0.74 POLB (0.40) NQO2
SCHEMBL6786984 0.74 MTNR1A (0.53) MTNR1AMTNR1B
SCHEMBL23218723 0.74 NLRP3 (0.45)

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-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 2/4885NQO2 2985/4885

“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.