SCHEMBL1895618

SCHEMBL1895618

CCCCOC(=O)N1CCC(=O)C(C(=O)C(F)(F)F)C1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.43
POLB P06746 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
PTGDR2 Q9Y5Y4 1/20 0.35
HRH2 P25021 2/20 0.34
HRH1 P35367 2/20 0.34
SMYD3 Q9H7B4 1/20 0.33
CHRM2 P08172 1/20 0.33
CHRM1 P11229 1/20 0.33
GBA2 Q9HCG7 1/20 0.33
PLA2G2A P14555 2/20 0.32
CNR2 P34972 1/20 0.32
KDM4E B2RXH2 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
SCHEMBL2479999 0.82 LMNA (0.45) LMNAPOLBSMN1; SMN2HRH2HRH1
SCHEMBL533925 0.82 LMNA (0.45) LMNAPOLBSMN1; SMN2HRH2HRH1
SCHEMBL1445031 0.81 LMNA (0.48) LMNAPOLBSMN1; SMN2PTGDR2HRH2
SCHEMBL10097950 0.81 LMNA (0.48) LMNAPOLBSMN1; SMN2PTGDR2HRH2
SCHEMBL29574427 0.80 SMN1; SMN2 (0.42) LMNAPOLBSMN1; SMN2PTGDR2HRH2
SCHEMBL29598912 0.79 LMNA (0.49) LMNAPOLBSMN1; SMN2PTGDR2HRH2
SCHEMBL2260180 0.79 LMNA (0.39) LMNAPOLBSMN1; SMN2HRH2HRH1
SCHEMBL1007010 0.78 DDB1 (0.40) SMN1; SMN2KDM4E
SCHEMBL15166573 0.78 LMNA (0.48) LMNAPOLBSMN1; SMN2PTGDR2HRH2
SCHEMBL31722736 0.77 LMNA (0.47) LMNAPOLBSMN1; SMN2PTGDR2HRH2

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-20110118236-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-05-19 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-20110118236-A1 HETEROCYCLIC COMPOUND GRIN1, GRM1, GRIK1 LMNA 4015/4885POLB 3571/4885SMN1; SMN2 3616/4885

“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.