SCHEMBL678971

SCHEMBL678971

O=CCCCCN1CCCC1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.56
MAPT P10636 3/20 0.45
CYP1A2 P05177 1/20 0.43
MAPK1 P28482 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
ALDH1A1 P00352 3/20 0.42
ALOX15 P16050 1/20 0.42
HIF1A Q16665 1/20 0.41
SIGMAR1 Q99720 2/20 0.38
CXCR4 P61073 1/20 0.38
TSHR P16473 1/20 0.37
POLB P06746 1/20 0.37
HRH1 P35367 1/20 0.36
L3MBTL1 Q9Y468 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
SCHEMBL7293982 0.98 HRH3 (0.61) HRH3MAPTCYP1A2MAPK1SMN1; SMN2
SCHEMBL7294425 0.98 HRH3 (0.61) HRH3MAPTCYP1A2MAPK1SMN1; SMN2
SCHEMBL7301483 0.98 HRH3 (0.61) HRH3MAPTCYP1A2MAPK1SMN1; SMN2
SCHEMBL10691864 0.98 HRH3 (0.61) HRH3MAPTCYP1A2MAPK1SMN1; SMN2
SCHEMBL7282658 0.98 HRH3 (0.61) HRH3MAPTCYP1A2MAPK1SMN1; SMN2
SCHEMBL16599764 0.98 HRH3 (0.61) HRH3MAPTCYP1A2MAPK1SMN1; SMN2
SCHEMBL7381713 0.98 HRH3 (0.61) HRH3MAPTCYP1A2MAPK1SMN1; SMN2
SCHEMBL7381954 0.98 HRH3 (0.61) HRH3MAPTCYP1A2MAPK1SMN1; SMN2
SCHEMBL7281286 0.96 HRH3 (0.65) HRH3MAPTCYP1A2MAPK1SMN1; SMN2
SCHEMBL7283494 0.96 HRH3 (0.65) HRH3MAPTCYP1A2MAPK1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023144798-A1 IONIZABLE CATIONIC LIPIDS FOR LIPID NANOPARTICLES GENEVANT SCIENCES GMBH (CH) 2023-08-03 WO claimed
CN-110320294-A A kind of detection method of 1- (4- fluorophenyl) -2- (N- pyrrolidinyl) -1- pentanone 公安部物证鉴定中心 2019-10-11 CN claimed
WO-2023144798-A1 IONIZABLE CATIONIC LIPIDS FOR LIPID NANOPARTICLES GENEVANT SCIENCES GMBH (CH) 2023-08-03 WO disclosed
CN-111018834-B Aminopyrimidine butenone derivatives as PPAR-gamma modulators 成都理工大学 2022-07-15 CN 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
US-8586618-B2 Furanone compounds and lactam analogues thereof BIOSIGNAL LIMITED (AU) 2013-11-19 US disclosed
EP-2177226-B1 Hydroxamate compositions COVIDIEN LP (US) 2013-09-18 EP disclosed
US-20130190377-A1 Novel Lactams BIOSIGNAL LIMITED (AU) 2013-07-25 US disclosed
US-8425972-B2 Antimicrobial materials and coatings COVIDIEN LP (US) 2013-04-23 US disclosed
EP-0456039-A2 Renin inhibiting amino acid derivatives MERCK PATENT GmbH (DE) 1991-11-13 EP disclosed
EP-0446485-A2 Peptide analogues with renininhibiting activity MERCK PATENT GmbH (DE) 1991-09-18 EP disclosed
EP-0446751-A1 Glycolic acid derivatives 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-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
EP-0297496-A2 Novel process for the preparation of 6,7-Diacyl-7-deacetylforskolin derivatives NIPPON KAYAKU KABUSHIKI KAISHA (JP) 1989-01-04 EP 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 (2 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-20130190377-A1 Novel Lactams SULT1E1, PGLS, Q6ZSR9 HRH3 3268/4885MAPT 2960/4885CYP1A2 284/4885
US-20170096391-A1 NOVEL LACTAMS SULT1E1, PGLS, Q6ZSR9 HRH3 3268/4885MAPT 2960/4885CYP1A2 284/4885

“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.