SCHEMBL3534699

SCHEMBL3534699

c1ccc2cc(N3CCCC3)ccc2c1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 2/20 0.69
SIGMAR1 Q99720 2/20 0.69
HTR3E A5X5Y0 1/20 0.69
HTR3B O95264 1/20 0.69
HTR5A P47898 1/20 0.69
HTR3D Q70Z44 1/20 0.69
HTR3C Q8WXA8 1/20 0.69
TERT O14746 3/20 0.57
MEN1 O00255 2/20 0.54
MAPT P10636 2/20 0.54
KMT2A Q03164 2/20 0.54
NPC1 O15118 1/20 0.54
POLB P06746 1/20 0.54
RAB9A P51151 1/20 0.54
MCL1 Q07820 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
AKR1C3 P42330 1/20 0.53
HSP90AA1 P07900 1/20 0.47
HRH3 Q9Y5N1 2/20 0.46
S100B P04271 2/20 0.46

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
SCHEMBL29594813 1.00 HTR3A (0.69) HTR3ASIGMAR1HTR3EHTR3BHTR5A
SCHEMBL30480097 0.98 HTR3A (0.67) HTR3ASIGMAR1HTR3EHTR3BHTR5A
SCHEMBL4810527 0.98 HTR3A (0.67) HTR3ASIGMAR1HTR3EHTR3BHTR5A
Formamide SCHEMBL29200631 0.88 HTR3A (0.56) HTR3ASIGMAR1HTR3EHTR3BHTR5A
SCHEMBL12806786 0.85 HTR3A (0.72) HTR3ASIGMAR1HTR3EHTR3BHTR5A
SCHEMBL13561733 0.84 HTR3A (0.51) HTR3ASIGMAR1HTR3EHTR3BHTR5A
SCHEMBL17144739 0.84 HTR3A (0.87) HTR3ASIGMAR1HTR3EHTR3BHTR5A
SCHEMBL4745958 0.82 AKR1C3 (0.69) HTR3ASIGMAR1HTR3EHTR3BHTR5A
SCHEMBL6002185 0.82 HTR3A (1.00) HTR3ASIGMAR1HTR3EHTR3BHTR5A
SCHEMBL3138664 0.82 HTR3A (1.00) HTR3ASIGMAR1HTR3EHTR3BHTR5A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115161672-B Method for electrochemical synthesis of amino (dithioperoxy) thiocarboxylate compound 广西师范大学 2024-04-16 CN disclosed
US-11358932-B2 N-(1-hydroxy-3-(pyrrolidinyl)propan-2-yl)pyrrolidine-3-carboxamide derivatives as glucosylceramide synthase inhibitors BIOMARIN PHARMACEUTICAL INC. (US) 2022-06-14 US disclosed
CN-112778184-B Method for arylating alpha position of tertiary amine 绍兴文理学院 2022-05-17 CN disclosed
CN-109824465-B Method for synthesizing amide by amine oxide catalyzed by bipyridine manganese catalyst 陕西师范大学 2022-01-04 CN disclosed
CN-112778184-A Method for arylating alpha position of tertiary amine 绍兴文理学院 2021-05-11 CN disclosed
CN-110526848-B Intermolecular hydrogen transfer initiating cyclic amines β -C (sp)3) Method for synthesizing β -substituted pyrrolidine compound by H functionalization 青岛农业大学 2020-09-08 CN disclosed
EP-3063141-B1 N-(1-HYDROXY-3-(PYRROLIDINYL)PROPAN-2-YL)PYRROLIDINE-3-CARBOXAMIDE DERIVATIVES AS GLUCOSYLCERAMIDE SYNTHASE INHIBITORS BIOMARIN PHARM INC (US) 2018-02-28 EP disclosed
CN-104003828-B The preparation method of copper complex catalytic amine and aromatic nitriles linked reaction under visible light TIANJIN NORMAL UNIVERSITY (CN) 2015-08-19 CN disclosed
CN-104003828-A Preparation method of amine and aromaticnitrile coupling reaction catalyzed by copper complex under visible light UNIV TIANJIN NORMAL 2014-08-27 CN disclosed
US-8212056-B2 Ligands for transition-metals and methods of use THE HONG KONG POLYTECHNIC UNIVERSITY (CN) 2012-07-03 US disclosed
US-8212056-B2 Ligands for transition-metals and methods of use THE HONG KONG POLYTECHNIC UNIVERSITY (CN) 2012-07-03 US disclosed
US-7732473-B2 Compounds with nootropic action, their preparation, pharmaceutical compositions containing them, and use thereof NEUROTUNE AG (CH) 2010-06-08 US disclosed
US-20090326243-A1 Ligands for transition-metals and methods of use THE HONG KONG POLYTECHNIC UNIVERSITY (HK) 2009-12-31 US disclosed
US-20090326243-A1 Ligands for transition-metals and methods of use THE HONG KONG POLYTECHNIC UNIVERSITY (HK) 2009-12-31 US disclosed
US-20090163565-A1 Compounds with nootropic action, their preperation, pharmaceutical compositions containing them, and use thereof FARINA CARLO 2009-06-25 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-11358932-B2 N-(1-hydroxy-3-(pyrrolidinyl)propan-2-yl)pyrrolidine-3-carboxamide derivatives as glucosylceramide synthase inhibitors GBA1, UGCG, GBA2 HTR3A 3082/4885SIGMAR1 3128/4885HTR3E 3769/4885
US-20090326243-A1 Ligands for transition-metals and methods of use PDK4, PDXK, PDK3 HTR3A 2015/4885SIGMAR1 2588/4885HTR3E 1851/4885
US-20090163565-A1 Compounds with nootropic action, their preperation, pharmaceutical compositions containing them, and use thereof OPRL1, GRIN3B, GRIN3A HTR3A 130/4885SIGMAR1 62/4885HTR3E 245/4885

“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.