SCHEMBL3221402

SCHEMBL3221402

COc1cc(OC)c2[nH]ccc2c1C1C=NN(C(C)=O)C1

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 6/20 0.35
HTR3E A5X5Y0 1/20 0.33
HTR3B O95264 1/20 0.33
HTR3A P46098 1/20 0.33
HTR3D Q70Z44 1/20 0.33
HTR3C Q8WXA8 1/20 0.33
MAOB P27338 1/20 0.33
CFB P00751 5/20 0.33
MTNR1A P48039 1/20 0.32
MTNR1B P49286 1/20 0.32
JAK2 O60674 6/20 0.32
JAK1 P23458 6/20 0.32
TYK2 P29597 6/20 0.32
JAK3 P52333 6/20 0.32
MAP3K19 Q56UN5 1/20 0.31
BMP2K Q9NSY1 1/20 0.31

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
SCHEMBL12085806 0.82 BRD4 (0.33) P2RX7CFBJAK2JAK1TYK2
SCHEMBL3227756 0.64 KDM4E (0.46) P2RX7
SCHEMBL18203922 0.61 P2RX7 (0.46) P2RX7CFB
SCHEMBL18204029 0.60 P2RX7 (0.47) P2RX7CFBMTNR1AMTNR1B
SCHEMBL18203921 0.60 P2RX7 (0.47) P2RX7
SCHEMBL15797422 0.60 P2RX7 (0.56) P2RX7CFB
SCHEMBL3218453 0.60 MTNR1A (0.67) MTNR1AMTNR1B
SCHEMBL3221314 0.60 P2RX7 (0.38) P2RX7CFBMTNR1AMTNR1B
SCHEMBL4247884 0.59 IGF1R (0.35) CFB
SCHEMBL15797301 0.59 P2RX7 (0.58) P2RX7

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 8 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
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 P2RX7 2881/4885HTR3E 372/4885HTR3B 265/4885

“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.