SCHEMBL4934813

SCHEMBL4934813

[C-]#[N+]CC(C)CCCCCCCCCC(N)Cc1c2ccccc2cc2ccccc12

nearest known ligand 0.36

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.33
HTR2C P28335 1/20 0.30
HTR2B P41595 1/20 0.30

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
SCHEMBL4935443 0.79 HTR2A (0.36) HTR2AL3MBTL1
Hydrochloric Acid SCHEMBL3293875 0.77 HTR2A (0.47) HTR2AL3MBTL1
Hydrochloric Acid SCHEMBL3290867 0.74 HTR2A (0.50) HTR2AL3MBTL1
SCHEMBL3463475 0.72 HTR2A (0.55) HTR2AL3MBTL1
SCHEMBL23979280 0.70 HTR2A (0.55) HTR2AL3MBTL1HTR2CHTR2B
SCHEMBL7915794 0.66 HTR2A (0.54) HTR2AL3MBTL1HTR2CHTR2B
SCHEMBL28130103 0.65 HTR2A (0.48) HTR2AL3MBTL1HTR2CHTR2B
SCHEMBL4931403 0.64 KDM4E (0.37) HTR2AL3MBTL1
SCHEMBL2396477 0.63 HTR2A (0.50) HTR2AL3MBTL1
SCHEMBL28530125 0.61 L3MBTL1 (0.41) HTR2AL3MBTL1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080299674-A1 Novel Isonitrile Compound, Its Method Of Manufacture, A Marine Fouling Organism Larva Fluorescent, And A Method Of Detecting This Marine Fouling Organism Larva Using Said Marker CENTRAL RESEARCH INSTITUTE OF ELECTRIC POWER INDUSTRY (JP) 2008-12-04 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 (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-20080299674-A1 Novel Isonitrile Compound, Its Method Of Manufacture, A Marine Fouling Organism Larva Fluorescent, And A Method Of Detecting This Marine Fouling Organism Larva Using Said Marker PFAS, FUCA1, FLNB HTR2A 4529/4885L3MBTL1 530/4885HTR2C 4652/4885

“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.