SCHEMBL589583

SCHEMBL589583

CCCCCN1CCc2ccccc2C1

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.72
CYP1A2 P05177 1/20 0.72
CYP2D6 P10635 1/20 0.72
CYP2C19 P33261 1/20 0.72
HTR7 P34969 5/20 0.61
DRD3 P35462 4/20 0.61
HTR1A P08908 4/20 0.61
ABCB1 P08183 1/20 0.59
DRD2 P14416 2/20 0.58
HTR2A P28223 2/20 0.58
SLC6A4 P31645 2/20 0.58
HRH1 P35367 2/20 0.58
HTR2B P41595 2/20 0.58
KDM4E B2RXH2 1/20 0.58
MAPT P10636 1/20 0.58
TAAR1 Q96RJ0 1/20 0.58
HDAC3 O15379 1/20 0.57
HDAC1 Q13547 1/20 0.57
HDAC2 Q92769 1/20 0.57
HDAC8 Q9BY41 1/20 0.57

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
SCHEMBL23001347 0.98 ALDH1A1 (0.75) ALDH1A1CYP1A2CYP2D6CYP2C19HTR7
SCHEMBL11038187 0.98 ALDH1A1 (0.75) ALDH1A1CYP1A2CYP2D6CYP2C19HTR7
SCHEMBL910697 0.98 ALDH1A1 (0.75) ALDH1A1CYP1A2CYP2D6CYP2C19HTR7
SCHEMBL8429723 0.98 ALDH1A1 (0.75) ALDH1A1CYP1A2CYP2D6CYP2C19HTR7
SCHEMBL14393531 0.98 ALDH1A1 (0.75) ALDH1A1CYP1A2CYP2D6CYP2C19HTR7
SCHEMBL30296953 0.95 ALDH1A1 (0.64) ALDH1A1CYP1A2CYP2D6CYP2C19HTR7
SCHEMBL155413 0.95 ALDH1A1 (0.64) ALDH1A1CYP1A2CYP2D6CYP2C19HTR7
SCHEMBL21142468 0.89 ALDH1A1 (0.71) ALDH1A1CYP1A2CYP2D6CYP2C19HTR7
SCHEMBL13487187 0.87 MAOA (0.59) ALDH1A1CYP1A2CYP2D6CYP2C19HTR7
SCHEMBL3246920 0.87 MAOA (0.59) ALDH1A1CYP1A2CYP2D6CYP2C19HTR7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114874105-B Preparation method of visible light and water promoted homoallylic amine compound 大连理工大学 2023-03-03 CN claimed
CN-114874105-A Preparation method of visible light and water promoted homoallylic amine compound 大连理工大学 2022-08-09 CN claimed
EP-0245960-B1 PROCESS FOR PREPARING N-ACYLTETRAHYDROISOQUINOLINE Takasago Perfumery Co., Ltd. (JP) 1992-07-29 EP claimed
CN-110891938-B Tetrahydro-benzo [ D ] azepine derivatives as GPR120 modulators 卡尔丹治疗有限公司 2023-10-31 CN disclosed
US-20230150998-A1 COMPOUNDS AS GLP-1R AGONISTS Terns, Inc. 2023-05-18 US disclosed
CN-115772169-A Indoline [2,1-a ] isoquinoline derivative, preparation method and application 郑州大学 2023-03-10 CN disclosed
CN-114874105-B Preparation method of visible light and water promoted homoallylic amine compound 大连理工大学 2023-03-03 CN disclosed
US-11084777-B2 Method for preparing alkylamines COMMISSARIAT A L'ENERGIE ATOMIQUE ET AUX ENERGIES ALTERNATIVES (FR) 2021-08-10 US disclosed
CN-110891938-A Tetrahydro-benzo [ D ] azepin slow derivatives as GPR120 modulators 卡尔丹治疗有限公司 2020-03-17 CN disclosed
US-20190084917-A1 Method for Preparting Alkylamines COMMISSARIAT A L'ENERGIE ATOMIQUE ET AUX ENERGIES ALTERNATIVES (FR) 2019-03-21 US disclosed
CN-108084179-A A kind of compound with spirane structure, its preparation method and application 上海医药工业研究院 2018-05-29 CN disclosed
US-5124337-A Treating atherosclerosis SCHERING CORPORATION (US) 1992-06-23 US disclosed
US-5124337-A Treating atherosclerosis SCHERING CORPORATION (US) 1992-06-23 US disclosed
US-4851537-A Process for preparing N-acyltetrahydroisoquinoline TAKASAGO PERFUMERY CO., LTD. (JP) 1989-07-25 US disclosed
US-4851537-A Process for preparing N-acyltetrahydroisoquinoline TAKASAGO PERFUMERY CO., LTD. (JP) 1989-07-25 US disclosed
US-4851537-A Process for preparing N-acyltetrahydroisoquinoline TAKASAGO PERFUMERY CO., LTD. (JP) 1989-07-25 US disclosed
EP-0245960-A2 Process for preparing N-acyltetrahydroisoquinoline Takasago Perfumery Co., Ltd. (JP) 1987-11-19 EP disclosed
EP-0245960-A2 Process for preparing N-acyltetrahydroisoquinoline Takasago Perfumery Co., Ltd. (JP) 1987-11-19 EP disclosed
US-4013666-A (8α,13Aβ)-8-CARBOCYCLIC/CARBOCYCLIC METHYL-5,8,13,13A-TETRAHYDRO-2,3,10,11-TETRAMETHOXY-6H-dibenzo[a,g]quinolizines and intermediates thereto G. D. SEARLE & CO. (US) 1977-03-22 US disclosed
US-4013644-A [8 α(E), 13aβ]-5,8,13,13a-tetrahydro-2,3,10,11-tetramethoxy-8-(2-phenylethenyl)-6H-dibenzo[a,g]quinolizines and intermediates thereto G. D. SEARLE & CO. (US) 1977-03-22 US 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-11084777-B2 Method for preparing alkylamines ALKBH2, ACR, ALKBH1 ALDH1A1 880/4885CYP1A2 146/4885CYP2D6 382/4885
US-20190084917-A1 Method for Preparting Alkylamines ALKBH2, ACR, ALKBH5 ALDH1A1 827/4885CYP1A2 122/4885CYP2D6 367/4885
US-20230150998-A1 COMPOUNDS AS GLP-1R AGONISTS GLP1R, GIPR, GCGR ALDH1A1 3182/4885CYP1A2 4109/4885CYP2D6 4352/4885

“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.