SCHEMBL3928804

SCHEMBL3928804

CCOC(=O)CCc1ccc(N)c(Cl)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 3/20 0.56
CYP4A11 Q02928 3/20 0.56
CYP3A4 P08684 1/20 0.46
CYP4Z1 Q86W10 1/20 0.46
PDE3B Q13370 1/20 0.44
PDE3A Q14432 1/20 0.44
P2RY12 Q9H244 1/20 0.44
TSHR P16473 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
APP P05067 1/20 0.43
JAK2 O60674 1/20 0.43
JAK1 P23458 1/20 0.43
TYK2 P29597 1/20 0.43
JAK3 P52333 1/20 0.43
NPC1 O15118 1/20 0.41
LMNA P02545 1/20 0.41
POLB P06746 1/20 0.41
RAB9A P51151 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL12723403 0.88 CYP4F2 (0.56) CYP4F2CYP4A11CYP4Z1PDE3BPDE3A
SCHEMBL901639 0.86 CYP4F2 (0.61) CYP4F2CYP4A11CYP4Z1PDE3BPDE3A
SCHEMBL3862461 0.86 CYP4F2 (0.61) CYP4F2CYP4A11CYP4Z1PDE3BPDE3A
SCHEMBL13263723 0.85 CYP4F2 (0.59) CYP4F2CYP4A11CYP4Z1PDE3BPDE3A
SCHEMBL23665899 0.85 CYP3A4 (0.49) CYP3A4TSHRKMT2AALDH1A1KDM4E
SCHEMBL90470 0.85 CYP3A4 (0.49) CYP4F2CYP4A11CYP3A4CYP4Z1TSHR
Hydrochloric Acid SCHEMBL90469 0.84 MAPT (0.50) CYP4F2CYP4A11CYP3A4CYP4Z1TSHR
SCHEMBL3734531 0.84 CYP4F2 (0.58) CYP4F2CYP4A11CYP4Z1PDE3BPDE3A
SCHEMBL5274836 0.84 CYP4F2 (0.58) CYP4F2CYP4A11CYP4Z1PDE3BPDE3A
Hydrochloric Acid SCHEMBL6986041 0.84 CYP4F2 (0.58) CYP4F2CYP4A11CYP4Z1PDE3BPDE3A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090069288-A1 Novel therapeutic compounds ABBVIE INC. 2009-03-12 US disclosed
US-20090069288-A1 Novel therapeutic compounds ABBVIE INC. 2009-03-12 US disclosed
US-20090069288-A1 Novel therapeutic compounds ABBVIE INC. 2009-03-12 US disclosed
WO-2009011850-A2 NOVEL THERAPEUTIC COMPOUNDS ABBOTT LABORATORIES (US) 2009-01-22 WO disclosed
WO-2009011850-A2 NOVEL THERAPEUTIC COMPOUNDS ABBOTT LABORATORIES (US) 2009-01-22 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 (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-20090069288-A1 Novel therapeutic compounds MAP3K20, RPS6KB1, MAP3K1 CYP4F2 3190/4885CYP4A11 2140/4885CYP3A4 4479/4885

“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.