SCHEMBL16068348

SCHEMBL16068348

COc1ccc2c(c1)c(CCNC(C)=O)cn2CCC(=O)O

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 3/20 0.73
HDAC6 Q9UBN7 3/20 0.73
MTNR1A P48039 13/20 0.72
MTNR1B P49286 12/20 0.72
NQO2 P16083 4/20 0.72
HDAC4 P56524 1/20 0.63
HDAC1 Q13547 1/20 0.63
HDAC7 Q8WUI4 1/20 0.63
HDAC2 Q92769 1/20 0.63
HDAC8 Q9BY41 1/20 0.63
HDAC9 Q9UKV0 1/20 0.63
AKR1C3 P42330 1/20 0.58
TBXAS1 P24557 1/20 0.58
ROCK1 Q13464 1/20 0.55
HTR2B P41595 2/20 0.53
HTR2C P28335 1/20 0.53
KDM4E B2RXH2 1/20 0.52
MEN1 O00255 1/20 0.52
ALDH1A1 P00352 1/20 0.52
CYP1A1 P04798 1/20 0.52

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
SCHEMBL16068372 0.88 HDAC3 (0.68) HDAC3HDAC6MTNR1AMTNR1BNQO2
SCHEMBL8717163 0.86 MTNR1A (0.74) HDAC3HDAC6MTNR1AMTNR1BNQO2
SCHEMBL23950258 0.85 MTNR1A (0.69) HDAC3HDAC6MTNR1AMTNR1BNQO2
SCHEMBL5144427 0.84 MTNR1A (1.00) HDAC3HDAC6MTNR1AMTNR1BNQO2
SCHEMBL23950254 0.83 HDAC3 (0.71) HDAC3HDAC6MTNR1AMTNR1BNQO2
SCHEMBL23950141 0.83 MTNR1A (0.69) HDAC3HDAC6MTNR1AMTNR1BNQO2
SCHEMBL23925220 0.83 HDAC3 (0.73) HDAC3HDAC6MTNR1AMTNR1BNQO2
SCHEMBL23950130 0.82 MTNR1A (0.65) HDAC3HDAC6MTNR1AMTNR1BNQO2
SCHEMBL10366491 0.82 KCNA5 (0.61) HDAC3HDAC6MTNR1AMTNR1BNQO2
SCHEMBL10628901 0.82 KCNA5 (0.61) HDAC3HDAC6MTNR1AMTNR1BNQO2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10787512-B2 Melatonin monoclonal antibody, detection, methods and uses thereof SALIMETRICS, LLC (US) 2020-09-29 US disclosed
CN-106461683-B The highly sensitive detection of melatonin 皇家飞利浦有限公司 2019-01-22 CN disclosed
WO-2014144725-A2 MELATONIN MONOCLONAL ANTIBODY, DETECTION, METHODS AND USES THEREOF SALIMETRICS, LLC (US) 2014-09-18 WO 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-10787512-B2 Melatonin monoclonal antibody, detection, methods and uses thereof IGLV6-57, MTNR1A, MTNR1B HDAC3 3160/4885HDAC6 1231/4885MTNR1A 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.