SCHEMBL3210741

SCHEMBL3210741

COc1ccc2[nH]cc(CCN)c2c1OC

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 7/20 0.67
HTR1A P08908 4/20 0.51
HTR2C P28335 3/20 0.51
HTR1D P28221 3/20 0.51
HTR6 P50406 2/20 0.51
CYP1A2 P05177 2/20 0.51
MAPT P10636 1/20 0.51
TSHR P16473 1/20 0.51
NFKB1 P19838 1/20 0.51
HTR1B P28222 1/20 0.51
HTR7 P34969 1/20 0.51
HTR4 Q13639 1/20 0.51
TRPM8 Q7Z2W7 1/20 0.51
BLM P54132 1/20 0.50
PMP22 Q01453 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
TAAR1 Q96RJ0 2/20 0.44
ADRA1A P35348 1/20 0.44

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
SCHEMBL9666180 0.88 HTR2A (0.50) HTR2AHTR1AHTR2CHTR1DHTR6
SCHEMBL26451594 0.86 HTR2A (0.60) HTR2AHTR1AHTR2CHTR1DHTR6
SCHEMBL25423917 0.85 HTR2A (0.58) HTR2AHTR1AHTR2CHTR1DHTR6
SCHEMBL1971484 0.85 HTR2A (0.67) HTR2AHTR1AHTR2CHTR1DHTR6
SCHEMBL31077741 0.85 HTR2A (0.58) HTR2AHTR1AHTR2CHTR1DHTR6
SCHEMBL2541508 0.84 HTR2A (0.65) HTR2AHTR1AHTR2CHTR1DHTR6
SCHEMBL34433458 0.82 HTR1A (0.73) HTR2AHTR1AHTR2CHTR1DHTR6
SCHEMBL23791403 0.82 HTR1A (0.73) HTR2AHTR1AHTR2CHTR1DHTR6
SCHEMBL9665786 0.82 MTNR1A (0.62) HTR2AHTR1AHTR2CHTR1DHTR6
SCHEMBL30888860 0.82 MTNR1A (0.62) HTR2AHTR1AHTR2CHTR1DHTR6

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-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
EP-0240352-B1 5-FLUOROURACIL DERIVATIVES AND PROCESSES FOR PRODUCING THEREOF Chisso Corporation (JP) 1992-12-16 EP disclosed
US-4792607-A ANTICANCER MEDICINE INTERRMEDIATES CHISSO CORPORATION (JP) 1988-12-20 US disclosed
EP-0240352-A2 5-Fluorouracil derivatives and processes for producing thereof Chisso Corporation (JP) 1987-10-07 EP 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 HTR2A 414/4885HTR1A 275/4885HTR2C 653/4885

“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.