SCHEMBL6786932

SCHEMBL6786932

CCc1nc2cccc([C@@H]3C[C@H]3CN)c2o1

nearest known ligand 0.65

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 6/20 0.65
MTNR1B P49286 6/20 0.65
HTR2C P28335 14/20 0.47
HTR2B P41595 14/20 0.47
HTR2A P28223 9/20 0.47
SLC6A2 P23975 2/20 0.42
SLC6A4 P31645 2/20 0.42
SLC6A3 Q01959 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
SCHEMBL6781331 0.90 MTNR1A (0.55) MTNR1AMTNR1BHTR2CHTR2BHTR2A
SCHEMBL6789183 0.86 MTNR1B (0.69) MTNR1AMTNR1BSLC6A2SLC6A4SLC6A3
SCHEMBL6786502 0.80 MTNR1B (0.81) MTNR1AMTNR1B
SCHEMBL6790908 0.80 MTNR1A (0.69) MTNR1AMTNR1BHTR2CHTR2BHTR2A
SCHEMBL6781325 0.80 HTR2C (0.46) MTNR1AMTNR1BHTR2CHTR2BHTR2A
SCHEMBL6783477 0.79 MTNR1B (1.00) MTNR1AMTNR1B
SCHEMBL6785417 0.79 MTNR1A (0.60) MTNR1AMTNR1BSLC6A4
SCHEMBL6784158 0.78 MTNR1B (0.78) MTNR1AMTNR1B
SCHEMBL6782062 0.78 MTNR1A (0.65) MTNR1AMTNR1B
SCHEMBL6780444 0.78 MTNR1A (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 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 2/4885HTR2C 67/4885

“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.