SCHEMBL4536281

SCHEMBL4536281

CCC(C)N(CCN(C)C)C(=O)O

nearest known ligand 0.34

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.31
NPY5R Q15761 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
OPRD1 P41143 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
SCHEMBL19949048 0.81 ALDH1A1 (0.30)
SCHEMBL8982375 0.78 TP53 (0.32) KDM4E
SCHEMBL967292 0.78 PGR (0.31) NPY5RSMN1; SMN2
SCHEMBL4531420 0.75 CASP1 (0.35) SMN1; SMN2
SCHEMBL22341278 0.74 ALDH1A1 (0.33) SMN1; SMN2
SCHEMBL969574 0.70
SCHEMBL497599 0.70 CA12 (0.33) SMN1; SMN2
SCHEMBL14065632 0.69 CHRM2 (0.37) SMN1; SMN2
SCHEMBL1583466 0.69 SAT1 (0.39)
SCHEMBL498168 0.69 CHRM1 (0.36) NPY5RSMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8084615-B2 Antibacterial agents UNIVERSITY OF WASHINGTON (US) 2011-12-27 US disclosed
US-20090163496-A1 ANTIBACTERIAL AGENTS UNIVERSITY OF WASHINGTON (US) 2009-06-25 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-20090163496-A1 ANTIBACTERIAL AGENTS MRPL21, SI, PGLS KDM4E 4327/4885NPY5R 3877/4885SMN1; SMN2 2296/4885

“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.