SCHEMBL8946916

SCHEMBL8946916

COc1ccc2[nH]c(C)c(CCNC(C)=O)c2c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 16/20 1.00
MTNR1B P49286 16/20 1.00
NQO2 P16083 3/20 0.76
CYP1A2 P05177 2/20 0.76
CYP3A4 P08684 2/20 0.76
CYP2D6 P10635 2/20 0.76
CYP2C9 P11712 2/20 0.76
CYP2C19 P33261 2/20 0.76
TSHR P16473 1/20 0.76
KDM4E B2RXH2 2/20 0.74
ALDH1A1 P00352 2/20 0.74
HPGD P15428 2/20 0.74
HSD17B10 Q99714 2/20 0.74
POLB P06746 1/20 0.74
MDM2 Q00987 1/20 0.74
MEN1 O00255 1/20 0.67
MAPT P10636 1/20 0.67
HTT P42858 1/20 0.67
KMT2A Q03164 1/20 0.67
TDP1 Q9NUW8 1/20 0.67

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
SCHEMBL31543713 1.00 MTNR1A (1.00) MTNR1AMTNR1BNQO2CYP1A2CYP3A4
SCHEMBL18239837 0.88 MTNR1A (0.78) MTNR1AMTNR1BNQO2CYP1A2CYP3A4
SCHEMBL18222560 0.88 MTNR1A (0.78) MTNR1AMTNR1BNQO2CYP1A2CYP3A4
SCHEMBL5439854 0.88 MTNR1A (0.78) MTNR1AMTNR1BNQO2CYP1A2CYP3A4
SCHEMBL31530480 0.88 MTNR1A (0.78) MTNR1AMTNR1BNQO2CYP1A2CYP3A4
SCHEMBL31530479 0.88 MTNR1A (0.78) MTNR1AMTNR1BNQO2CYP1A2CYP3A4
SCHEMBL3227065 0.87 MTNR1A (0.77) MTNR1AMTNR1BNQO2CYP1A2CYP3A4
SCHEMBL3221458 0.86 KDM4E (0.84) MTNR1AMTNR1BNQO2CYP1A2CYP3A4
SCHEMBL1774151 0.86 NQO2 (1.00) MTNR1AMTNR1BNQO2CYP1A2CYP3A4
SCHEMBL1311849 0.86 MTNR1A (1.00) MTNR1AMTNR1BNQO2CYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5552428-A ANTIARRHYTHMIA AGENTS FOR CARDIOVASCULAR DISORDERS USING MELATONIN DERIVATIVES INSTITUTO FARMACOLOGICO LOMBARDO-IFLO, S.A.S. (IT) 1996-09-03 US claimed
CN-1017426-B Process for preparing alkyl melatonin LILLY CO ELI (US) 1992-07-15 CN claimed
CN-88100478-A alkyl melatonin 1988-08-17 CN claimed
US-20120309823-A1 PERCUTANEOUS ABSORPTION PREPARATIONS SUZUKI YASUYUKI (JP) 2012-12-06 US disclosed
US-20090264521-A1 Percutaneous absorption preparation SUZUKI YASUYUKI 2009-10-22 US disclosed
US-20080167363-A1 Modulation of Neurogenesis By Melatoninergic Agents BRAINCELLS, INC (US) 2008-07-10 US disclosed
CN-1047936-C Method for producing pharmaceutical composite containing alkylmelatonins LILLY CO ELI (US) 2000-01-05 CN disclosed
US-5552428-A ANTIARRHYTHMIA AGENTS FOR CARDIOVASCULAR DISORDERS USING MELATONIN DERIVATIVES INSTITUTO FARMACOLOGICO LOMBARDO-IFLO, S.A.S. (IT) 1996-09-03 US disclosed
CN-1064807-A Preparation contains the method for the pharmaceutical composition of Alkylmelatonins LILLY CO ELI (US) 1992-09-30 CN disclosed
CN-1017426-B Process for preparing alkyl melatonin LILLY CO ELI (US) 1992-07-15 CN disclosed
CN-88100478-A alkyl melatonin 1988-08-17 CN 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 (3 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-20090264521-A1 Percutaneous absorption preparation MTNR1A, MTNR1B, NPSR1 MTNR1A 1/4885MTNR1B 2/4885NQO2 2145/4885
US-20120309823-A1 PERCUTANEOUS ABSORPTION PREPARATIONS MTNR1A, MTNR1B, MC1R MTNR1A 1/4885MTNR1B 2/4885NQO2 1994/4885
US-20080167363-A1 Modulation of Neurogenesis By Melatoninergic Agents MTNR1A, GAP43, DCX MTNR1A 1/4885MTNR1B 4/4885NQO2 1047/4885

“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.