SCHEMBL4075720

SCHEMBL4075720

COc1ccc2[nH]cc(CCN(C(C)=O)C(C)=O)c2c1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.72
HTR1A P08908 5/20 0.70
MTNR1A P48039 4/20 0.70
HTR1D P28221 4/20 0.70
CYP2D6 P10635 3/20 0.70
CYP1A2 P05177 3/20 0.70
HTR2B P41595 3/20 0.70
MTNR1B P49286 3/20 0.70
HTR1B P28222 3/20 0.70
HTR2A P28223 3/20 0.70
HTR2C P28335 3/20 0.70
HTR7 P34969 3/20 0.70
HTR6 P50406 3/20 0.70
HTR4 Q13639 2/20 0.70
HTR1E P28566 2/20 0.70
HTR5A P47898 2/20 0.70
HTR3E A5X5Y0 1/20 0.70
HTR3B O95264 1/20 0.70
CYP2C9 P11712 1/20 0.70
HTR1F P30939 1/20 0.70

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
SCHEMBL5085972 0.92 KMT2A (0.65) KMT2AHTR1AMTNR1AHTR1DCYP2D6
SCHEMBL5085568 0.92 KMT2A (0.65) KMT2AHTR1AMTNR1AHTR1DCYP2D6
SCHEMBL466333 0.89 KMT2A (0.70) KMT2AHTR1AMTNR1AHTR1DCYP2D6
SCHEMBL5144423 0.89 KMT2A (0.74) KMT2AHTR1AMTNR1AHTR1DCYP2D6
SCHEMBL5146979 0.88 KMT2A (0.66) KMT2AHTR1AMTNR1AHTR1DCYP2D6
SCHEMBL16058705 0.88 KMT2A (0.69) KMT2AHTR1AMTNR1AHTR1DCYP2D6
SCHEMBL28414663 0.88 KMT2A (0.69) KMT2AHTR1AMTNR1AHTR1DCYP2D6
SCHEMBL5227242 0.88 KMT2A (0.69) KMT2AHTR1AMTNR1AHTR1DCYP2D6
SCHEMBL3689658 0.87 KMT2A (0.59) KMT2AHTR1AMTNR1AHTR1DCYP2D6
SCHEMBL5144364 0.84 KMT2A (0.65) KMT2AHTR1AMTNR1AHTR1DCYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0851855-B9 ACYLATED DERIVATIVES OF MELATONIN AND ITS ANALOGUES, USEFUL AS MEDICAMENTS MACEF (FR) 2003-05-21 EP claimed
EP-0851855-B1 ACYLATED DERIVATIVES OF MELATONIN AND ITS ANALOGUES, USEFUL AS MEDICAMENTS MACEF (FR) 2002-06-05 EP claimed
EP-0851855-A1 ACYLATED DERIVATIVES OF MELATONIN AND ITS ANALOGUES, USEFUL AS MEDICAMENTS CEMAF (FR) 1998-07-08 EP claimed
WO-1997006140-A1 ACYLATED DERIVATIVES OF MELATONIN AND ITS ANALOGUES, USEFUL AS MEDICAMENTS CEMAF (FR) 1997-02-20 WO claimed
EP-2083818-A2 MELATONIN DERIVATIVES AND THEIR USE AS ANTIOXIDANTS University of Sunderland (GB) 2009-08-05 EP disclosed
US-20090005430-A1 Receptor Blocker and Vasodilator Comprising Indole Derivative as Active Ingredient NATIONAL UNIVERSITY CORPORATION KANAZAWA UNIVERSITY (JP) 2009-01-01 US disclosed
WO-2008062167-A2 MELATONIN DERIVATIVES AND THEIR USE AS ANTIOXIDANTS UNIVERSITY OF SUNDERLAND (GB) 2008-05-29 WO disclosed
WO-2007101863-A1 THERAPEUTIC COMBINATION OF A 5HT2 RECEPTOR ANTAGONIST AND OF A 5HT2 RECEPTOR ACTIVATOR MACEF (FR) 2007-09-13 WO disclosed
WO-2007101863-A1 THERAPEUTIC COMBINATION OF A 5HT2 RECEPTOR ANTAGONIST AND OF A 5HT2 RECEPTOR ACTIVATOR MACEF (FR) 2007-09-13 WO disclosed
EP-0851855-B9 ACYLATED DERIVATIVES OF MELATONIN AND ITS ANALOGUES, USEFUL AS MEDICAMENTS MACEF (FR) 2003-05-21 EP disclosed
EP-0851855-B1 ACYLATED DERIVATIVES OF MELATONIN AND ITS ANALOGUES, USEFUL AS MEDICAMENTS MACEF (FR) 2002-06-05 EP disclosed
US-6140372-A N-(2-(2-ACETYL-7-METHOXYNAPHTH-1-YL)ETHYL)ACETAMIDE; SEDATIVES; MELATONIN DISORDERS; DRUGS; COSMETICS; ANTIDEPRESSANTS; PSYCHIATRIC DISORDERS, E.G., STRESS, ANXIOLYTIC AGENTS, INSOMNIA, SCHIZOPHRENIA, PSYCHOSIS CEMAF AND LABORATORIES BESINS ISOVESCO S.A. (FR) 2000-10-31 US disclosed
US-6004991-A COMPOUNDS FOR COSMETICS WITH ENANTIOMORPHS CEMAF AND LABORATOIRES BESINS ISCOVESCO S.A. (FR) 1999-12-21 US disclosed
EP-0851855-A1 ACYLATED DERIVATIVES OF MELATONIN AND ITS ANALOGUES, USEFUL AS MEDICAMENTS CEMAF (FR) 1998-07-08 EP disclosed
WO-1997006140-A1 ACYLATED DERIVATIVES OF MELATONIN AND ITS ANALOGUES, USEFUL AS MEDICAMENTS CEMAF (FR) 1997-02-20 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-20090005430-A1 Receptor Blocker and Vasodilator Comprising Indole Derivative as Active Ingredient ADRB2, ADRB1, ADRA2B KMT2A 1542/4885HTR1A 34/4885MTNR1A 261/4885

“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.