SCHEMBL678406

SCHEMBL678406

O=CCCCN1CCCC1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.52
CYP1A2 P05177 1/20 0.45
MAPK1 P28482 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
HIF1A Q16665 1/20 0.43
MAPT P10636 3/20 0.41
ALDH1A1 P00352 3/20 0.39
ALOX15 P16050 1/20 0.39
POLB P06746 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
TSHR P16473 1/20 0.36
CARM1 Q86X55 1/20 0.36
PRMT6 Q96LA8 1/20 0.36
PRMT8 Q9NR22 1/20 0.36
CXCR4 P61073 1/20 0.35

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
SCHEMBL750128 0.98 HRH3 (0.56) HRH3CYP1A2MAPK1SMN1; SMN2HIF1A
Hydrochloric Acid SCHEMBL27381398 0.95 HRH3 (0.54) HRH3CYP1A2MAPK1SMN1; SMN2HIF1A
SCHEMBL678971 0.93 HRH3 (0.56) HRH3CYP1A2MAPK1SMN1; SMN2HIF1A
SCHEMBL7293982 0.91 HRH3 (0.61) HRH3CYP1A2MAPK1SMN1; SMN2HIF1A
SCHEMBL7301483 0.91 HRH3 (0.61) HRH3CYP1A2MAPK1SMN1; SMN2HIF1A
SCHEMBL7282658 0.91 HRH3 (0.61) HRH3CYP1A2MAPK1SMN1; SMN2HIF1A
SCHEMBL16599764 0.91 HRH3 (0.61) HRH3CYP1A2MAPK1SMN1; SMN2HIF1A
SCHEMBL7294425 0.91 HRH3 (0.61) HRH3CYP1A2MAPK1SMN1; SMN2HIF1A
SCHEMBL7381713 0.91 HRH3 (0.61) HRH3CYP1A2MAPK1SMN1; SMN2HIF1A
SCHEMBL10691864 0.91 HRH3 (0.61) HRH3CYP1A2MAPK1SMN1; SMN2HIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2005107744-A1 NERVE DAMAGE ROELANTS, IVO (BE) 2005-11-17 WO claimed
WO-2023196527-A2 IONIZABLE LIPID COMPOUNDS AND LIPID NANOPARTICLE COMPOSITIONS SunVax mRNA Therapeutics Inc. (US) 2023-10-12 WO disclosed
US-20230322689-A1 IONIZABLE LIPID COMPOUNDS AND LIPID NANOPARTICLE COMPOSITIONS SunVax mRNA Therapeutics Inc. (US) 2023-10-12 US disclosed
US-20230322689-A1 IONIZABLE LIPID COMPOUNDS AND LIPID NANOPARTICLE COMPOSITIONS SunVax mRNA Therapeutics Inc. (US) 2023-10-12 US disclosed
WO-2023142600-A1 AMINO LIPID, PREPARATION METHOD THEREFOR, AND USE THEREOF 深圳虹信生物科技有限公司 2023-08-03 WO disclosed
EP-4215188-A1 AN AMINO LIPID, PREPARATION METHOD AND APPLICATION THEREOF Shenzhen MagicRNA Biotechnology Co., Ltd. (CN) 2023-07-26 EP disclosed
US-20210213005-A1 PYRROLIDINE GLYCOSIDASE INHIBITORS ASCENEURON SA (CH) 2021-07-15 US disclosed
EP-2160192-B1 ANTIMICROBIAL MATERIALS AND COATINGS COVIDIEN LP (US) 2018-03-28 EP disclosed
US-20170096391-A1 NOVEL LACTAMS BIOSIGNAL LIMITED (AU) 2017-04-06 US disclosed
US-9586901-B2 Lactams UNILEVER PLC (GB) 2017-03-07 US disclosed
EP-0446485-A2 Peptide analogues with renininhibiting activity MERCK PATENT GmbH (DE) 1991-09-18 EP disclosed
EP-0418696-A2 Derivatives of aminoacids MERCK PATENT GmbH (DE) 1991-03-27 EP disclosed
CN-1046529-A Carbostyril derivative OTSUKA PHARMA CO LTD (JP) 1990-10-31 CN disclosed
EP-0382185-A2 Carbostyril derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1990-08-16 EP disclosed
EP-0369105-A1 A drug and method for increasing the microcirculatory flow-rate and volume in the capillaries to the skin Bertini Curri, Sergio (IT) 1990-05-23 EP disclosed
CN-1037155-A Amino acid derivative MERCK PATENT GMBH (DE) 1989-11-15 CN disclosed
EP-0339483-A2 Renin inhbiting amino-acid derivatives MERCK PATENT GmbH (DE) 1989-11-02 EP disclosed
EP-0337334-A2 Renin-inhibiting amino acid derivatives MERCK PATENT GmbH (DE) 1989-10-18 EP disclosed
US-4755522-A Derivatives of N-[3-(2,4,6-trimethoxybenzoyl)propyl]piperidine, and their use in therapeutics LABORATOIRE L. LAFON (FR) 1988-07-05 US disclosed
EP-0236140-A2 Carbostyril derivatives and salts thereof and anti-arrhythmic agents containing the carbostyril derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1987-09-09 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 (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-20170096391-A1 NOVEL LACTAMS SULT1E1, PGLS, Q6ZSR9 HRH3 3268/4885CYP1A2 284/4885MAPK1 3565/4885
US-20210213005-A1 PYRROLIDINE GLYCOSIDASE INHIBITORS PREP, GAA, DNPEP HRH3 2645/4885CYP1A2 1488/4885MAPK1 3904/4885
US-20230322689-A1 IONIZABLE LIPID COMPOUNDS AND LIPID NANOPARTICLE COMPOSITIONS PHOSPHO1, SGMS1, PLIN3 HRH3 3622/4885CYP1A2 4569/4885MAPK1 2720/4885

“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.