SCHEMBL678970

SCHEMBL678970

O=[C]CCCCN1CCCC1

nearest known ligand 0.61

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.61
HRH3 Q9Y5N1 4/20 0.56
CYP1A2 P05177 1/20 0.43
MAPK1 P28482 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
SIGMAR1 Q99720 2/20 0.38
POLB P06746 2/20 0.38
ALDH1A1 P00352 3/20 0.38
ALOX15 P16050 1/20 0.38
CXCR4 P61073 1/20 0.38

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
SCHEMBL7294081 0.98 HRH3 (0.61) MAPTHRH3CYP1A2MAPK1SMN1; SMN2
SCHEMBL7282651 0.98 HRH3 (0.61) MAPTHRH3CYP1A2MAPK1SMN1; SMN2
SCHEMBL7381950 0.98 HRH3 (0.61) MAPTHRH3CYP1A2MAPK1SMN1; SMN2
SCHEMBL7294419 0.98 HRH3 (0.61) MAPTHRH3CYP1A2MAPK1SMN1; SMN2
SCHEMBL678788 0.98 HRH3 (0.61) MAPTHRH3CYP1A2MAPK1SMN1; SMN2
SCHEMBL10691862 0.98 HRH3 (0.61) MAPTHRH3CYP1A2MAPK1SMN1; SMN2
SCHEMBL7290189 0.98 HRH3 (0.61) MAPTHRH3CYP1A2MAPK1SMN1; SMN2
SCHEMBL7382943 0.96 HRH3 (0.65) MAPTHRH3CYP1A2MAPK1SMN1; SMN2
SCHEMBL7281275 0.96 HRH3 (0.65) MAPTHRH3CYP1A2MAPK1SMN1; SMN2
SCHEMBL10695726 0.96 HRH3 (0.65) MAPTHRH3CYP1A2MAPK1SMN1; 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 111 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-2564859-A1 Hydroxamate compositions Covidien LP (US) 2013-03-06 EP disclosed
US-8153741-B2 Furanone copolymers TYCO HEALTHCARE GROUP LP (US) 2012-04-10 US disclosed
US-8071691-B2 Furanone endcapped polymers TYCO HEALTHCARE GROUP LP (US) 2011-12-06 US disclosed
EP-0464517-A2 Amino acid derivatives with renin inhibiting activity MERCK PATENT GmbH (DE) 1992-01-08 EP disclosed
EP-0456039-A2 Renin inhibiting amino acid derivatives MERCK PATENT GmbH (DE) 1991-11-13 EP disclosed
EP-0446751-A1 Glycolic acid derivatives MERCK PATENT GmbH (DE) 1991-09-18 EP 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-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 MAPT 2960/4885HRH3 3268/4885CYP1A2 284/4885
US-20170096391-A1 NOVEL LACTAMS SULT1E1, PGLS, Q6ZSR9 MAPT 2960/4885HRH3 3268/4885CYP1A2 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.