SCHEMBL6480855

SCHEMBL6480855

O=C(c1cnoc1C1CC1)c1ccc(Cl)c(OCCn2cnnn2)c1Cl

nearest known ligand 0.36

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.36
HTR4 Q13639 1/20 0.32

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
SCHEMBL6479617 0.84 PDE2A (0.32) HTR4
SCHEMBL6493704 0.82 MAPK1 (0.34) MAPK1
SCHEMBL6492854 0.79 MAPK1 (0.34) MAPK1HTR4
SCHEMBL588047 0.78 MAPK1 (0.33) MAPK1HTR4
SCHEMBL587146 0.77 MAPK1 (0.43) MAPK1
SCHEMBL587431 0.77 MAPK1 (0.43) MAPK1
SCHEMBL6480302 0.77 MAPK1 (0.35) MAPK1HTR4
SCHEMBL8493697 0.76 DHODH (0.35)
SCHEMBL588251 0.75 MAPK1 (0.34) MAPK1HTR4
SCHEMBL6489414 0.74 CNR2 (0.30)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050239829-A1 Novel piperidine compound TANABE SEIYAKU CO. LTD. (JP) 2005-10-27 US disclosed
US-20050090398-A1 Novel tetrazole derivative useful as herbicides YANAGI AKIHIKO (JP) 2005-04-28 US disclosed
EP-1476437-A1 NOVEL TETRAZOLE DERIVATIVE USEFUL AS HERBICIDES Bayer CropScience AG (DE) 2004-11-17 EP disclosed
WO-2003066607-A1 NOVEL TETRAZOLE DERIVATIVE USEFUL AS HERBICIDES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2003-08-14 WO 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-20050239829-A1 Novel piperidine compound EP300, BRD1, CBR3 MAPK1 1339/4885HTR4 729/4885
US-20050090398-A1 Novel tetrazole derivative useful as herbicides DDT, TTI1, CYP1A1 MAPK1 2914/4885HTR4 2541/4885

“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.