SCHEMBL6784507

SCHEMBL6784507

CC(C)c1nc2cccc([C@@H]3C[C@H]3C=O)c2o1

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 12/20 0.41
MTNR1B P49286 12/20 0.41
CHRNB2 P17787 1/20 0.34
CHRNA4 P43681 1/20 0.34
ACACB O00763 2/20 0.31
PDE7B Q9NP56 1/20 0.31
SLC6A4 P31645 1/20 0.30

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
SCHEMBL6785417 0.80 MTNR1A (0.60) MTNR1AMTNR1BSLC6A4
SCHEMBL6781603 0.79 MTNR1A (0.45) MTNR1AMTNR1BCHRNB2CHRNA4ACACB
SCHEMBL6784376 0.78 MTNR1A (0.46) MTNR1AMTNR1BCHRNB2CHRNA4ACACB
SCHEMBL6781325 0.78 HTR2C (0.46) MTNR1AMTNR1BSLC6A4
SCHEMBL6784513 0.78 MTNR1A (0.50) MTNR1AMTNR1B
SCHEMBL6781575 0.75 MTNR1A (0.62) MTNR1AMTNR1BACACB
SCHEMBL6789188 0.73 MTNR1B (0.73) MTNR1AMTNR1B
SCHEMBL6781806 0.73 MTNR1B (0.61) MTNR1AMTNR1B
SCHEMBL6784560 0.72 MTNR1A (0.72) MTNR1AMTNR1B
SCHEMBL6784236 0.72 MTNR1A (0.59) 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 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 2/4885CHRNB2 248/4885

“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.