SCHEMBL4008043

SCHEMBL4008043

CCCC(CCC)CC(N)=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 1/20 0.40
AKR1A1 P14550 1/20 0.40
CHRM3 P20309 1/20 0.40
HTR2A P28223 1/20 0.40
HTR2C P28335 1/20 0.40
ADRA1A P35348 1/20 0.40
HRH1 P35367 1/20 0.40
DRD3 P35462 1/20 0.40
SLC6A3 Q01959 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC2 Q92769 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
CYP3A4 P08684 3/20 0.39
TSHR P16473 2/20 0.39
NFKB1 P19838 2/20 0.39
NPSR1 Q6W5P4 2/20 0.39
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
CA12 O43570 1/20 0.37
CA7 P43166 1/20 0.37

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
SCHEMBL9104581 0.95 CHRM1 (0.40) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL19847385 0.91 CA2 (0.47) TDP1CYP3A4TSHRCA1CA2
SCHEMBL7895720 0.90 CA2 (0.40) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL5739281 0.89 LMNA (0.45) CA1CA2GRIK1SLC1A2SLC1A1
Hydrochloric Acid SCHEMBL6432498 0.89 CA2 (0.45) TDP1CYP3A4TSHRCA1CA2
SCHEMBL28331224 0.88 LMNA (0.38) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL19412264 0.87 LMNA (0.48) CYP3A4CA2GRIK1GRIK2GPR84
SCHEMBL29968887 0.87 LMNA (0.48) CYP3A4CA2GRIK1GRIK2GPR84
SCHEMBL20835160 0.87 LMNA (0.48) CYP3A4CA2GRIK1GRIK2GPR84
SCHEMBL21894626 0.86 CACNA2D1 (0.41) CHRM1AKR1A1CHRM3HTR2AHTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2069321-A1 NOVEL BENZOFURAN TYPE DERIVATIVES, A COMPOSITION COMPRISING THE SAME FOR TREATING OR PREVENTING COGNITIVE DYSFUNCTION AND THE USE THEREOF Digital Biotech Co., Ltd. (KR) 2009-06-17 EP claimed
WO-2008041826-A1 NOVEL BENZOFURAN TYPE DERIVATIVES, A COMPOSITION COMPRISING THE SAME FOR TREATING OR PREVENTING COGNITIVE DYSFUNCTION AND THE USE THEREOF DIGITAL BIOTECH CO., LTD (KR) 2008-04-10 WO claimed
CN-114340734-A Novel compounds and methods 博善人工智能生物科技有限公司 2022-04-12 CN disclosed
EP-3959765-A1 POLYVINYL PYROLLIDONE AS A DISPERSANT FOR LITHIUM ION BATTERY CATHODE PRODUCTION Dow Global Technologies LLC (US) 2022-03-02 EP disclosed
US-10941166-B2 Crystalline high degree of condensation titanium-based inorganic-organic hybrid solid MOF material, method for preparing same and uses thereof CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2021-03-09 US disclosed
US-20190248814-A1 CRYSTALLINE HIGH DEGREE OF CONDENSATION TITANIUM-BASED INORGANIC-ORGANIC HYBRID SOLID MOF MATERIAL, METHOD FOR PREPARING SAME AND USES THEREOF CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2019-08-15 US disclosed
WO-2017211923-A1 CRYSTALLINE HIGH DEGREE OF CONDENSATION TITANIUM-BASED INORGANIC-ORGANIC HYBRID SOLID MOF MATERIAL, METHOD FOR PREPARING SAME AND USES THEREOF CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2017-12-14 WO disclosed
CN-102459416-B Process for production of polyhydroxyimide NISSAN CHEMICAL IND LTD 2014-06-18 CN disclosed
CN-101535285-B Novel benzofuran type derivatives, a composition comprising the same for treating or preventing cognitive dysfunction and the use thereof DIGITAL BIOTECH CO LTD 2012-09-26 CN disclosed
CN-102459416-A Method for producing polyhydroxyimide NISSAN CHEMICAL IND LTD 2012-05-16 CN disclosed
WO-2009131196-A1 SUBSTITUTED PYRROLIDINE DERIVATIVE AND USE THEREOF 武田薬品工業株式会社 (JP) 2009-10-29 WO disclosed
EP-1931471-A1 IMPROVED CATALYST SYSTEM Lucite International UK Limited (GB) 2008-06-18 EP disclosed
WO-2008041826-A1 NOVEL BENZOFURAN TYPE DERIVATIVES, A COMPOSITION COMPRISING THE SAME FOR TREATING OR PREVENTING COGNITIVE DYSFUNCTION AND THE USE THEREOF DIGITAL BIOTECH CO., LTD (KR) 2008-04-10 WO disclosed
US-20070254898-A1 Thienopyrimidine and Thienopyridine Derivatives Substituted with Cyclic Amino Group TAISHO PHARMACEUTICAL CO., LTD. (JP) 2007-11-01 US disclosed
WO-2007020379-A1 IMPROVED CATALYST SYSTEM LUCITE INTERNATIONAL UK LIMITED (GB) 2007-02-22 WO disclosed
US-6840967-B1 Dye diffusion promoting agents for aramids SOUTHERN MILLS, INC. (US) 2005-01-11 US disclosed
US-5306312-A Dyeing fabric by heating in solution containing dye and aliphatic amide dye diffusion promoter BURLINGTON INDUSTRIES, INC. (US) 1994-04-26 US disclosed
EP-0349786-B1 METHOD OF STABILIZING 3-ISOTHIAZOLONE SOLUTION ICHIKAWA GOSEI CHEMICAL CO., LTD. (JP) 1993-02-10 EP disclosed
EP-0349786-A1 Method of stabilizing 3-isothiazolone solution ICHIKAWA GOSEI CHEMICAL CO., LTD. (JP) 1990-01-10 EP disclosed
US-4246282-A ω-Dialkylalkanoic acid derivatives used to induce antianoxic activity LABAZ (FR) 1981-01-20 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-20070254898-A1 Thienopyrimidine and Thienopyridine Derivatives Substituted with Cyclic Amino Group HRH2, HRH3, HRH4 CHRM1 732/4885AKR1A1 2832/4885CHRM3 2532/4885
US-10941166-B2 Crystalline high degree of condensation titanium-based inorganic-organic hybrid solid MOF material, method for preparing same and uses thereof TPR, SPOP, POF1B CHRM1 1628/4885AKR1A1 4690/4885CHRM3 2093/4885
US-20190248814-A1 CRYSTALLINE HIGH DEGREE OF CONDENSATION TITANIUM-BASED INORGANIC-ORGANIC HYBRID SOLID MOF MATERIAL, METHOD FOR PREPARING SAME AND USES THEREOF TPR, SPOP, POF1B CHRM1 1628/4885AKR1A1 4690/4885CHRM3 2093/4885

“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.