SCHEMBL3214536

SCHEMBL3214536

COc1ccc2[nH]cc(C3C=NN(C(C)=O)C3)c2c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 4/20 0.58
MTNR1B P49286 4/20 0.58
HTR2B P41595 2/20 0.49
HTR2A P28223 1/20 0.49
HTR2C P28335 1/20 0.49
LMNA P02545 3/20 0.47
TSHR P16473 1/20 0.47
IDO1 P14902 1/20 0.47
PDE4D Q08499 1/20 0.47
NR4A2 P43354 1/20 0.45
MAPT P10636 2/20 0.44
KDM4E B2RXH2 3/20 0.44
MEN1 O00255 2/20 0.44
RAB9A P51151 2/20 0.44
KMT2A Q03164 2/20 0.44
MITF O75030 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
HSD11B1 P28845 1/20 0.43
NPC1 O15118 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL3218401 0.81 MTNR1A (0.43) MTNR1AMTNR1BSMN1; SMN2CYP3A4NQO2
SCHEMBL9836327 0.74 MTNR1A (0.78) MTNR1AMTNR1BHTR2BHTR2AHTR2C
SCHEMBL9837468 0.72 MTNR1A (0.56) MTNR1AMTNR1BHTR2BHTR2AHTR2C
SCHEMBL24736529 0.71 HTR2A (0.60) MTNR1AMTNR1BHTR2BHTR2AHTR2C
SCHEMBL5341311 0.69 MTNR1A (0.67) MTNR1AMTNR1BHTR2BHTR2AHTR2C
SCHEMBL3221402 0.69 P2RX7 (0.35) MTNR1AMTNR1B
SCHEMBL21255991 0.68 MTNR1A (0.60) MTNR1AMTNR1BHTR2BHTR2AHTR2C
SCHEMBL6167162 0.67 MTNR1A (0.62) MTNR1AMTNR1BHTR2BHTR2AHTR2C
SCHEMBL7198422 0.67 IDO1 (0.56) MTNR1AMTNR1BHTR2BHTR2AHTR2C
SCHEMBL4671021 0.67 HTR2A (0.59) MTNR1AMTNR1BHTR2BHTR2AHTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100063125-A1 MELATONIN DERIVATIVES AND THEIR USE AS ANTIOXIDANTS UNIVERSITY OF SUNDERLAND (GB) 2010-03-11 US claimed
US-8258173-B2 Melatonin derivatives and their use as antioxidants UNIVERSITY OF SUNDERLAND (GB) 2012-09-04 US disclosed
US-8258173-B2 Melatonin derivatives and their use as antioxidants UNIVERSITY OF SUNDERLAND (GB) 2012-09-04 US disclosed
US-8258173-B2 Melatonin derivatives and their use as antioxidants UNIVERSITY OF SUNDERLAND (GB) 2012-09-04 US disclosed
US-20100063125-A1 MELATONIN DERIVATIVES AND THEIR USE AS ANTIOXIDANTS UNIVERSITY OF SUNDERLAND (GB) 2010-03-11 US disclosed
US-20100063125-A1 MELATONIN DERIVATIVES AND THEIR USE AS ANTIOXIDANTS UNIVERSITY OF SUNDERLAND (GB) 2010-03-11 US disclosed
US-20100063125-A1 MELATONIN DERIVATIVES AND THEIR USE AS ANTIOXIDANTS UNIVERSITY OF SUNDERLAND (GB) 2010-03-11 US disclosed
EP-2083818-A2 MELATONIN DERIVATIVES AND THEIR USE AS ANTIOXIDANTS University of Sunderland (GB) 2009-08-05 EP disclosed
WO-2008062167-A2 MELATONIN DERIVATIVES AND THEIR USE AS ANTIOXIDANTS UNIVERSITY OF SUNDERLAND (GB) 2008-05-29 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-20100063125-A1 MELATONIN DERIVATIVES AND THEIR USE AS ANTIOXIDANTS MTNR1A, MTNR1B, TXNRD2 MTNR1A 1/4885MTNR1B 2/4885HTR2B 477/4885

“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.