SCHEMBL465036

SCHEMBL465036

C1=Cc2c([nH]c3ccccc23)CN1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.42
NR2E1 Q9Y466 2/20 0.42
HTR5A P47898 1/20 0.42
NISCH Q9Y2I1 1/20 0.42
ALDH1A1 P00352 3/20 0.41
GPR3 P46089 1/20 0.41
HSD17B10 Q99714 1/20 0.41
TAAR1 Q96RJ0 1/20 0.41
HTR2A P28223 1/20 0.40
HTR2C P28335 1/20 0.40
CHRNA7 P36544 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.37
AHR P35869 1/20 0.36
LMNA P02545 1/20 0.36
GLA P06280 1/20 0.36
GAA P10253 1/20 0.36
HPGD P15428 1/20 0.36
HTT P42858 1/20 0.36
ATM Q13315 1/20 0.36
PARP1 P09874 1/20 0.36

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
SCHEMBL29424329 1.00 KDM4E (0.42) KDM4ENR2E1HTR5ANISCHALDH1A1
SCHEMBL223751 0.81 ALDH1A1 (0.50) KDM4ENR2E1HTR5ANISCHALDH1A1
SCHEMBL454277 0.70 HTR2A (0.43) KDM4ENR2E1HTR5ANISCHALDH1A1
SCHEMBL4127395 0.70 KDM4E (0.42) KDM4ENR2E1HTR5ANISCHALDH1A1
SCHEMBL2072294 0.70 KDM4E (0.50) KDM4ENR2E1HTR5ANISCHALDH1A1
SCHEMBL4437258 0.69 ALDH1A1 (0.40) KDM4ENR2E1HTR5ANISCHALDH1A1
SCHEMBL21668867 0.69 KDM4E (0.41) KDM4ENR2E1HTR5ANISCHALDH1A1
SCHEMBL3925948 0.69 KDM4E (0.41) KDM4ENR2E1HTR5ANISCHALDH1A1
SCHEMBL7078918 0.69 KDM4E (0.44) KDM4EALDH1A1GPR3HSD17B10HTR2A
SCHEMBL27741230 0.69 KDM4E (0.41) KDM4ENR2E1HTR5ANISCHALDH1A1

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 128 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119241543-A Polycyclic nitrogen heterocyclic compound and preparation method thereof 中国科学院成都生物研究所 2025-01-03 CN claimed
CN-118146220-A Method for synthesizing dihydro-beta-carboline by oxidative dehydrogenation of tetrahydro-beta-carboline 西安石油大学 2024-06-07 CN claimed
CN-116287050-A Imine reductase, mutant and application thereof in synthesis of tetrahydro-beta-carboline derivatives 复旦大学 2023-06-23 CN claimed
CN-104744460-B β carbolines, dihydro β carbolines and tetrahydro-beta-carboline alcaloid-derivatives and preparation method thereof and the application in terms of preventing and treating plant virus, sterilization, desinsection 南开大学 2017-06-16 CN claimed
US-20160326166-A1 ß-CARBOLINE, DIHYDRO-ß-CARBOLINE AND TETRAHYDRO-ß-CARBOLINE ALKALOID DERIVATIVES AND PREPARATION METHODS SAME AND USE IN ASPECTS OF PREVENTING AND TREATING PLANT VIRUSES, FUNGICIDES AND INSECTICIDES NANKAI UNIVERSITY (CN) 2016-11-10 US claimed
EP-3091015-A1 BETA-CARBOLINE, DIHYDRO-BETA-CARBOLINE AND TETRAHYDRO-BETA-CARBOLINE ALKALOID DERIVATIVES AND METHOD FOR PREPARING SAME AND USE IN ASPECTS OF PREVENTING AND TREATING PLANT VIRUSES, FUNGICIDES AND INSECTICIDES Nankai University (CN) 2016-11-09 EP claimed
CN-104744460-A B-carboline, dihydro-B-carboline and tetrahydro-B-carboline alkaloid derivative as well as preparation method and application in aspects of plant virus prevention and cure, sterilization and insecticide UNIV NANKAI 2015-07-01 CN claimed
EP-0251194-B1 USE OF CARBOCYCLIC AND HETEROCYCLIC CONDENSED DIHYDROPYRIDINES FOR THE PREPARATION OF CARDIOPROTECTIVE REMEDIES AND HETEROCYCLIC AND CARBOCYCLIC CONDENSED DIHYDROPYRIDINES AND METHODS AND INTERMEDIATES FOR THEIR PREPARATION BOEHRINGER INGELHEIM KG (DE) 1993-03-31 EP claimed
EP-0251194-A1 Use of carbocyclic and heterocyclic condensed dihydropyridines for the preparation of cardioprotective remedies and heterocyclic and carbocyclic condensed dihydropyridines and methods and intermediates for their preparation BOEHRINGER INGELHEIM KG (DE) 1988-01-07 EP claimed
CN-119241543-A Polycyclic nitrogen heterocyclic compound and preparation method thereof 中国科学院成都生物研究所 2025-01-03 CN disclosed
CN-119241543-A Polycyclic nitrogen heterocyclic compound and preparation method thereof 中国科学院成都生物研究所 2025-01-03 CN disclosed
CN-118146220-A Method for synthesizing dihydro-beta-carboline by oxidative dehydrogenation of tetrahydro-beta-carboline 西安石油大学 2024-06-07 CN disclosed
CN-118146220-A Method for synthesizing dihydro-beta-carboline by oxidative dehydrogenation of tetrahydro-beta-carboline 西安石油大学 2024-06-07 CN disclosed
CN-118146220-A Method for synthesizing dihydro-beta-carboline by oxidative dehydrogenation of tetrahydro-beta-carboline 西安石油大学 2024-06-07 CN disclosed
EP-0559838-A4 ECTEINASCIDINS 736 AND 722 UNIV ILLINOIS (US) 1994-06-29 EP disclosed
EP-0559838-A1 ECTEINASCIDINS 736 AND 722. UNIV ILLINOIS (US) 1993-09-15 EP disclosed
EP-0251194-B1 USE OF CARBOCYCLIC AND HETEROCYCLIC CONDENSED DIHYDROPYRIDINES FOR THE PREPARATION OF CARDIOPROTECTIVE REMEDIES AND HETEROCYCLIC AND CARBOCYCLIC CONDENSED DIHYDROPYRIDINES AND METHODS AND INTERMEDIATES FOR THEIR PREPARATION BOEHRINGER INGELHEIM KG (DE) 1993-03-31 EP disclosed
US-5149804-A Antitumor agent THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 1992-09-22 US disclosed
WO-1992009607-A1 ECTEINASCIDINS 736 AND 722 THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 1992-06-11 WO disclosed
EP-0251194-A1 Use of carbocyclic and heterocyclic condensed dihydropyridines for the preparation of cardioprotective remedies and heterocyclic and carbocyclic condensed dihydropyridines and methods and intermediates for their preparation BOEHRINGER INGELHEIM KG (DE) 1988-01-07 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-20160326166-A1 ß-CARBOLINE, DIHYDRO-ß-CARBOLINE AND TETRAHYDRO-ß-CARBOLINE ALKALOID DERIVATIVES AND PREPARATION METHODS SAME AND USE IN ASPECTS OF PREVENTING AND TREATING PLANT VIRUSES, FUNGICIDES AND INSECTICIDES DDT, NOTUM, DDAH1 KDM4E 1695/4885NR2E1 2422/4885HTR5A 2020/4885

“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.