SCHEMBL379337

SCHEMBL379337

COc1ccc2c(CCN)c[nH]c2c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 5/20 1.00
MEN1 O00255 1/20 0.97
KMT2A Q03164 1/20 0.97
HTR1B P28222 4/20 0.78
HTR6 P50406 3/20 0.78
HTR2C P28335 3/20 0.78
HTR1A P08908 3/20 0.78
HTR1D P28221 3/20 0.78
CYP1A2 P05177 2/20 0.78
NFKB1 P19838 2/20 0.78
HTR7 P34969 2/20 0.78
MAPT P10636 1/20 0.78
TSHR P16473 1/20 0.78
HTR4 Q13639 1/20 0.78
TRPM8 Q7Z2W7 1/20 0.78
BLM P54132 1/20 0.76
PMP22 Q01453 1/20 0.76
NPSR1 Q6W5P4 1/20 0.76
MTNR1A P48039 1/20 0.61
MTNR1B P49286 1/20 0.61

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
SCHEMBL29874859 1.00 HTR2A (1.00) HTR2AMEN1KMT2AHTR1BHTR6
SCHEMBL5023884 0.91 HTR2A (0.83) HTR2AMEN1KMT2AHTR1BHTR6
5-Methoxytryptamine SCHEMBL41982 0.88 HTR1A (1.00) HTR2AMEN1KMT2AHTR1BHTR6
5-Methoxytryptamine SCHEMBL29390103 0.88 HTR1A (1.00) HTR2AMEN1KMT2AHTR1BHTR6
5-Methoxytryptamine SCHEMBL31109114 0.86 NPSR1 (1.00) HTR2AMEN1KMT2AHTR1BHTR6
5-Methoxytryptamine SCHEMBL1322980 0.86 NPSR1 (1.00) HTR2AMEN1KMT2AHTR1BHTR6
5-Methoxytryptamine SCHEMBL26617456 0.86 HTR1A (0.97) HTR2AMEN1KMT2AHTR1BHTR6
5-Methoxytryptamine SCHEMBL130877 0.86 HTR1A (0.97) HTR2AMEN1KMT2AHTR1BHTR6
SCHEMBL13715395 0.86 HTR2A (0.75) HTR2AMEN1KMT2AHTR1BHTR6
SCHEMBL22185054 0.85 HTR2A (0.73) HTR2AMEN1KMT2AHTR1BHTR6

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 309 patents — showing the first 20. 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-115850269-A Tetrahydro-beta-carboline compound and preparation method and application thereof 南京工业大学 2023-03-28 CN claimed
CN-114984195-A Novel application of fat membrane associated protein and related coding gene and fragment thereof 上海中医药大学 2022-09-02 CN claimed
CN-110643032-B Eight-arm polyethylene glycol, preparation method, functionalized derivative and modified biologically-relevant substance 厦门赛诺邦格生物科技股份有限公司 2022-01-28 CN claimed
CN-112010838-B Naphthalimide-indole derivative-based intracellular reticulum fluorescent probe and application thereof 中国科学院化学研究所 2021-07-13 CN claimed
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 claimed
CN-112010838-A Naphthalimide-indole derivative-based intracellular reticulum fluorescent probe and application thereof 中国科学院化学研究所 2020-12-01 CN claimed
CN-106967213-B Eight-arm polyethylene glycol, preparation method, functionalized derivative and modified biologically-relevant substance 厦门赛诺邦格生物科技股份有限公司 2019-11-05 CN claimed
CN-106967213-A Eight-arm polyethylene glycol, preparation method, functionalized derivative and modified biologically-relevant substance 厦门赛诺邦格生物科技股份有限公司 2017-07-21 CN claimed
US-20160331725-A1 USE OF COMPOUNDS THAT ARE ABLE TO INCREASE THE SERUM IGF-1 LEVEL FOR THE PREPARATION OF A THERAPEUTICAL COMPOSITION FOR TREATMENT OF VARIOUS DISEASE STATES ASSOCIATED WITH A REDUCED IGF-1 SERUM LEVEL IN HUMANS AND ANIMALS VEIJLEN N.V. 2016-11-17 US claimed
WO-2005039546-A2 USE OF INDOLEACETIC ACID DERIVATIVES WHICH INCREASE THE SERUM IGF-1 LEVEL FOR THE PREPARATION OF A THERAPEUTICAL COMPOSITION FOR TREATMENT OF VARIOUS DISEASES VEIJLEN N.V. (AN) 2005-05-06 WO claimed
US-6743791-B2 ANTICANCER AGENTS; ANTIINFLAMMATORY AGENTS VERTEX PHARMACEUTICALS INCORPORATED 2004-06-01 US claimed
US-20030092714-A1 Heterocyclic inhibitors of ERK2 and uses thereof VERTEX PHARMACEUTICALS INCORPORATED 2003-05-15 US claimed
EP-0824544-B1 PEPTIDYL COMPOUNDS WHICH INHIBIT METALLOPROTEINASE AND TNF LIBERATION AND THEIR THERAPEUTIC USE DARWIN DISCOVERY LTD (GB) 2003-04-16 EP claimed
EP-0566566-B1 COMPOSITIONS AND METHODS FOR ALLEVIATING MENOPAUSAL SYMPTOMS APPLIED MED RES LTD (US) 1995-12-06 EP claimed
EP-0566566-A1 COMPOSITIONS AND METHODS FOR ALLEVIATING MENOPAUSAL SYMPTOMS. APPLIED MED RES LTD (US) 1993-10-27 EP claimed
WO-1992011855-A1 COMPOSITIONS AND METHODS FOR ALLEVIATING MENOPAUSAL SYMPTOMS APPLIED MEDICAL RESEARCH, LTD. (US) 1992-07-23 WO claimed
EP-0472628-A1 USE OF MELATONIN DERIVATIVES FOR EFFECTING CONTRACEPTION APPLIED MEDICAL RESEARCH, LTD. (US) 1992-03-04 EP claimed
CN-1047974-A Compositions and methods for effecting contraception COHEN MICHAEL (NL) 1990-12-26 CN claimed
WO-1990014084-A1 USE OF MELATONIN DERIVATIVES FOR EFFECTING CONTRACEPTION COHEN MICHAEL (NL) 1990-11-29 WO claimed

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-20030092714-A1 Heterocyclic inhibitors of ERK2 and uses thereof MAPK1, MAPK3, MAP2K2 HTR2A 2187/4885MEN1 3046/4885KMT2A 1648/4885

“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.