SCHEMBL4490583

SCHEMBL4490583

COc1ccc2c(CCNC(C)=O)c[nH]c2c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 9/20 1.00
MTNR1B P49286 7/20 1.00
KMT2A Q03164 6/20 0.81
MEN1 O00255 5/20 0.81
CYP1A2 P05177 4/20 0.81
HPGD P15428 3/20 0.81
CYP3A4 P08684 3/20 0.81
CYP2D6 P10635 3/20 0.81
HTR2B P41595 3/20 0.81
KDM4E B2RXH2 2/20 0.81
HSD17B10 Q99714 2/20 0.81
BLM P54132 2/20 0.81
ALDH1A1 P00352 1/20 0.81
CYP1A1 P04798 1/20 0.81
MPO P05164 1/20 0.81
HTR1A P08908 1/20 0.81
NQO2 P16083 1/20 0.81
RAB9A P51151 1/20 0.81
PMP22 Q01453 1/20 0.81
CYP1B1 Q16678 1/20 0.81

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
SCHEMBL30630306 1.00 MTNR1A (1.00) MTNR1AMTNR1BKMT2AMEN1CYP1A2
SCHEMBL27084981 0.90 MTNR1A (0.81) MTNR1AMTNR1BKMT2AMEN1CYP1A2
Melatonin SCHEMBL19018 0.90 MTNR1A (1.00) MTNR1AMTNR1BKMT2AMEN1CYP1A2
Melatonin SCHEMBL8060688 0.90 MTNR1A (1.00) MTNR1AMTNR1BKMT2AMEN1CYP1A2
Melatonin SCHEMBL4686085 0.90 MTNR1A (1.00) MTNR1AMTNR1BKMT2AMEN1CYP1A2
Melatonin SCHEMBL29349848 0.90 MTNR1A (1.00) MTNR1AMTNR1BKMT2AMEN1CYP1A2
Melatonin SCHEMBL28895534 0.89 MTNR1A (0.97) MTNR1AMTNR1BKMT2AMEN1CYP1A2
Melatonin SCHEMBL8850894 0.89 MTNR1A (0.97) MTNR1AMTNR1BKMT2AMEN1CYP1A2
Melatonin SCHEMBL29153193 0.89 MTNR1A (0.97) MTNR1AMTNR1BKMT2AMEN1CYP1A2
Melatonin SCHEMBL28994307 0.89 MTNR1A (0.97) MTNR1AMTNR1BKMT2AMEN1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117886642-A Selenium-rich nutrient solution for tartary buckwheat production and application 成都大学 2024-04-16 CN claimed
CN-117886642-A Selenium-rich nutrient solution for tartary buckwheat production and application 成都大学 2024-04-16 CN disclosed
US-20240043382-A1 MODIFIED INDOLE ALKALOIDS FOR THERAPEUTIC USES COMPASS PATHFINDER LIMITED (GB) 2024-02-08 US disclosed
CN-117120415-A Modified indole alkaloids for therapeutic use 指南针探路者有限公司 2023-11-24 CN disclosed
CN-112500412-B Penamine A alkaloid structure simplification compound and application thereof 中国人民解放军空军军医大学 2021-09-24 CN disclosed
CN-112500412-A Penamine A alkaloid structure simplification compound and application thereof 中国人民解放军空军军医大学 2021-03-16 CN disclosed
US-7612099-B2 Vinylogous acid derivatives HOFFMANN-LA ROCHE INC. (US) 2009-11-03 US disclosed
EP-1957483-A1 NOVEL VINYLOGOUS ACIDS DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2008-08-20 EP disclosed
US-20070265263-A1 Heterocyclic inhibitors of ERK2 and uses thereof CAO JINGRONG 2007-11-15 US disclosed
WO-2007063010-A1 NOVEL VINYLOGOUS ACIDS DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2007-06-07 WO disclosed
US-20070129421-A1 Vinylogous acid derivatives HOFFMANN-LA ROCHE INC. 2007-06-07 US disclosed
WO-2004085392-A1 MELATONIN DERIVATIVES AND THEIR USE FOR TREATING NEUROLOGICAL DYSFUNCTIONS FAUST PHARMACEUTICALS (FR) 2004-10-07 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 (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-20070265263-A1 Heterocyclic inhibitors of ERK2 and uses thereof MAPK1, MAPK3, MAPKAPK2 MTNR1A 238/4885MTNR1B 339/4885KMT2A 2432/4885
US-20240043382-A1 MODIFIED INDOLE ALKALOIDS FOR THERAPEUTIC USES INMT, AANAT, HNMT MTNR1A 40/4885MTNR1B 89/4885KMT2A 866/4885
US-20070129421-A1 Vinylogous acid derivatives CMA1, TPSG1, TPSAB1 MTNR1A 454/4885MTNR1B 756/4885KMT2A 2349/4885

“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.