SCHEMBL6784800

SCHEMBL6784800

O=C[C@@H]1C[C@H]1c1cccc2nc(CCCCc3ccccc3)oc12

nearest known ligand 0.64

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 14/20 0.64
MTNR1B P49286 14/20 0.64
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
MEN1 O00255 1/20 0.34
ELANE P08246 1/20 0.34
KMT2A Q03164 1/20 0.34
FAAH O00519 1/20 0.34
CES1 P23141 1/20 0.34
DAGLA Q9Y4D2 1/20 0.34
TLR8 Q9NR97 1/20 0.34
TLR7 Q9NYK1 1/20 0.34

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
SCHEMBL6784513 0.84 MTNR1A (0.50) MTNR1AMTNR1BMEN1ELANEKMT2A
SCHEMBL6785920 0.82 MTNR1A (0.70) MTNR1AMTNR1BNPC1RAB9AFAAH
SCHEMBL6790908 0.82 MTNR1A (0.69) MTNR1AMTNR1B
SCHEMBL6784523 0.82 MTNR1A (0.72) MTNR1AMTNR1B
SCHEMBL6785417 0.81 MTNR1A (0.60) MTNR1AMTNR1BELANE
SCHEMBL6784569 0.78 MTNR1A (1.00) MTNR1AMTNR1B
SCHEMBL6786689 0.77 MTNR1B (1.00) MTNR1AMTNR1B
SCHEMBL6783528 0.77 MTNR1A (1.00) MTNR1AMTNR1B
SCHEMBL6784446 0.76 MTNR1A (0.81) MTNR1AMTNR1B
SCHEMBL6786579 0.75 MTNR1A (0.86) 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 2/4885NPC1 4194/4885

“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.