SCHEMBL4446744

SCHEMBL4446744

CCNC(=O)c1ccc2c(c1)n(C)c(=O)n2C1CCN(OC(=O)C(F)(F)F)CC1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.43
SLC6A4 P31645 1/20 0.43
HSD11B1 P28845 2/20 0.42
YEATS4 O95619 3/20 0.42
KCNH2 Q12809 3/20 0.42
MLLT3 P42568 1/20 0.42
MLLT1 Q03111 1/20 0.42
YEATS2 Q9ULM3 1/20 0.42
PIK3CA P42336 5/20 0.41
CTSS P25774 4/20 0.40
HPD P32754 3/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
PLD2 O14939 1/20 0.37
PLD1 Q13393 1/20 0.37

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
SCHEMBL4440180 0.83 GPR119 (0.52) DRD2SLC6A4HSD11B1YEATS4KCNH2
SCHEMBL4440085 0.82 YEATS4 (0.62) DRD2YEATS4KCNH2MLLT3MLLT1
Trifluoroacetic Acid SCHEMBL4446739 0.82 HPD (0.41) DRD2SLC6A4HSD11B1YEATS4KCNH2
SCHEMBL14008573 0.80 HPD (0.46) DRD2SLC6A4HSD11B1YEATS4KCNH2
SCHEMBL6249088 0.79 HSD11B1 (0.51) HSD11B1CTSS
SCHEMBL4437942 0.75 YEATS4 (0.47) DRD2SLC6A4HSD11B1YEATS4KCNH2
Hydrochloric Acid SCHEMBL5006590 0.74 YEATS4 (0.46) DRD2SLC6A4HSD11B1YEATS4KCNH2
SCHEMBL5836092 0.74 HPD (0.50) DRD2SLC6A4HSD11B1PIK3CAHPD
SCHEMBL5836181 0.68 HPD (0.53) DRD2SLC6A4HSD11B1PIK3CAHPD
SCHEMBL6245314 0.68 OPRL1 (0.48)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2121656-A1 INHIBITORS OF SERINE PALMITOYLTRANSFERASE Pfizer Products Inc. (US) 2009-11-25 EP disclosed
US-20080287479-A1 INHIBITORS OF SERINE PALMITOYLTRANSFERASE PFIZER INC 2008-11-20 US disclosed
WO-2008084300-A1 INHIBITORS OF SERINE PALMITOYLTRANSFERASE PFIZER PRODUCTS INC. (US) 2008-07-17 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-20080287479-A1 INHIBITORS OF SERINE PALMITOYLTRANSFERASE SPTLC1, SPTLC2, CPT1A DRD2 4274/4885SLC6A4 3956/4885HSD11B1 201/4885

“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.