SCHEMBL1022097

SCHEMBL1022097

C#CCN(CCC(I)CCC)C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 1/20 0.31
AKR1A1 P14550 1/20 0.31
CHRM3 P20309 1/20 0.31
HTR2A P28223 1/20 0.31
HTR2C P28335 1/20 0.31
ADRA1A P35348 1/20 0.31
HRH1 P35367 1/20 0.31
DRD3 P35462 1/20 0.31
SLC6A3 Q01959 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC2 Q92769 1/20 0.31
TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL28743237 0.82
SCHEMBL309219 0.81
SCHEMBL5960902 0.81 CA12 (0.38) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL537444 0.75 CA12 (0.45)
SCHEMBL5710568 0.70
SCHEMBL4621524 0.70 PYCR1 (0.35)
SCHEMBL5960264 0.67
SCHEMBL15792335 0.67
SCHEMBL9423831 0.66 KDM4E (0.31)
SCHEMBL498097 0.65 CA12 (0.39) 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 54 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4176721-B1 BIOCIDAL POLYMER BLENDS LANXESS DEUTSCHLAND GMBH (DE) 2026-01-07 EP claimed
US-20240215572-A1 ANTIMICROBIAL PARTICLE DISPERSION MITSUBISHI PENCIL COMPANY, LIMITED (JP) 2024-07-04 US claimed
WO-2023078794-A1 BIOCIDAL POLYMER BLEND LANXESS DEUTSCHLAND GMBH (DE) 2023-05-11 WO claimed
EP-4176721-A1 BIOCIDAL POLYMER BLENDS LANXESS Deutschland GmbH (DE) 2023-05-10 EP claimed
EP-1981629-B1 IPBC-CONTAINING COACERVATES LANXESS DEUTSCHLAND GMBH (DE) 2013-10-16 EP claimed
EP-4692252-A1 FUNCTIONAL PARTICLE DISPERSION MITSUBISHI PENCIL COMPANY, LIMITED (JP) 2026-02-11 EP disclosed
EP-3663366-B1 USE OF PHYSIOLOGICAL COOLING INGREDIENTS AND AGENTS CONTAINING SUCH ACTIVE INGREDIENTS SYMRISE AG (DE) 2025-01-08 EP disclosed
US-20240215572-A1 ANTIMICROBIAL PARTICLE DISPERSION MITSUBISHI PENCIL COMPANY, LIMITED (JP) 2024-07-04 US disclosed
CN-116685575-A Novel cooling substances and formulations containing these cooling substances 西姆莱斯股份公司 2023-09-01 CN disclosed
WO-2023143741-A1 NEW COOLANTS, AND PREPARATIONS CONTAINING SAME SYMRISE AG (DE) 2023-08-03 WO disclosed
WO-2023144326-A1 NEW COOLANTS, AND PREPARATIONS CONTAINING SAME SYMRISE AG (DE) 2023-08-03 WO disclosed
WO-2023078794-A1 BIOCIDAL POLYMER BLEND LANXESS DEUTSCHLAND GMBH (DE) 2023-05-11 WO disclosed
US-5804591-A FUNGICIDES JANSSEN PHARMACEUTICA, N.V. (BE) 1998-09-08 US disclosed
EP-0632034-B1 Agents for preserving technical materials against insects BAYER AGROCHEM KK (JP) 1998-08-19 EP disclosed
US-5714507-A FUNGICIDE JANSSEN PHARMACEUTICA, N.V. (BE) 1998-02-03 US disclosed
EP-0769906-A1 SYNERGISTIC COMPOSITIONS CONTAINING METCONAZOLE AND ANOTHER TRIAZOLE JANSSEN PHARMACEUTICA N.V. (BE) 1997-05-02 EP disclosed
EP-0511541-B1 Agents for preserving wood or composite-wood materials against insects BAYER AGROCHEM KK (JP) 1996-09-04 EP disclosed
WO-1996001054-A1 SYNERGISTIC COMPOSITIONS CONTAINING METCONAZOLE AND ANOTHER TRIAZOLE JANSSEN PHARMACEUTICA N.V. (BE) 1996-01-18 WO disclosed
EP-0632034-A1 Agents for preserving technical materials against insects NIHON BAYER AGROCHEM K.K. (JP) 1995-01-04 EP disclosed
EP-0511541-A1 Agents for preserving wood or composite-wood materials against insects NIHON BAYER AGROCHEM K.K. (JP) 1992-11-04 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 (1 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-20240215572-A1 ANTIMICROBIAL PARTICLE DISPERSION Q6ZSR9, PAM, ACMSD CHRM1 4563/4885AKR1A1 2793/4885CHRM3 4513/4885

“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.