SCHEMBL4447358

SCHEMBL4447358

CCCOC1(CC)C(C)OC(=O)N1Cc1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ELANE P08246 3/20 0.38
NPSR1 Q6W5P4 1/20 0.36
GRM2 Q14416 2/20 0.36
CTSG P08311 1/20 0.35
PRTN3 P24158 1/20 0.35
LMNA P02545 2/20 0.35
KMT2A Q03164 2/20 0.33
ALDH1A1 P00352 1/20 0.33
TSHR P16473 1/20 0.33
TRPC5 Q9UL62 1/20 0.33
CYP2C19 P33261 3/20 0.33
MEN1 O00255 1/20 0.32
HSD17B10 Q99714 1/20 0.32
HPGD P15428 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
SCHEMBL4484747 0.69 GRM2 (0.39) ELANEGRM2CTSGPRTN3LMNA
SCHEMBL4465167 0.67 CCR5 (0.32) ELANEGRM2CTSGPRTN3LMNA
SCHEMBL4454008 0.64 OPRM1 (0.40) NPSR1GRM2KMT2AALDH1A1CYP2C19
SCHEMBL4482455 0.63 ELANE (0.42) ELANENPSR1CTSGPRTN3LMNA
SCHEMBL4914793 0.62 MDM2 (0.67) ALDH1A1
SCHEMBL4322743 0.62 CYP2C9 (0.38) ELANENPSR1CTSGPRTN3LMNA
SCHEMBL4455569 0.62 OPRM1 (0.42) GRM2KMT2AALDH1A1CYP2C19MEN1
SCHEMBL22222447 0.61 EHMT2 (0.42) ELANEGRM2CTSGPRTN3ALDH1A1
SCHEMBL20794186 0.61 EHMT2 (0.42) ELANEGRM2CTSGPRTN3ALDH1A1
SCHEMBL20780345 0.61 EHMT2 (0.42) ELANEGRM2CTSGPRTN3ALDH1A1

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-20090137577-A1 HETEROCYCLIC COMPOUNDS PFIZER INC. 2009-05-28 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-20090137577-A1 HETEROCYCLIC COMPOUNDS CYP2D6, ABCG2, CYP2B6 ELANE 1155/4885NPSR1 1096/4885GRM2 4432/4885

“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.