SCHEMBL4434665

SCHEMBL4434665

CNC(=O)c1cc2c(cc1F)N(C1CCNCC1)C(=O)C2

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CTSC P53634 2/20 0.39
SMYD3 Q9H7B4 2/20 0.37
PLD1 Q13393 1/20 0.35
PARP2 Q9UGN5 2/20 0.34
PARP3 Q9Y6F1 2/20 0.34
AR P10275 4/20 0.34
WDR5 P61964 2/20 0.33
PLAT P00750 2/20 0.32
TP53 P04637 1/20 0.32
OPRM1 P35372 1/20 0.32
OPRL1 P41146 1/20 0.32
CTSK P43235 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
SCHEMBL14008528 0.87 SMYD3 (0.37) CTSCSMYD3PLD1PLATTP53
SCHEMBL4440513 0.79 SMYD3 (0.47) CTSCSMYD3PLD1OPRL1
SCHEMBL14146291 0.77 PLD1 (0.39) PLD1TP53OPRM1OPRL1
SCHEMBL4433059 0.76 PLD1 (0.38) PLD1AROPRM1OPRL1
SCHEMBL4444437 0.76 PLD1 (0.38) CTSCPLD1AROPRM1OPRL1
SCHEMBL4439004 0.76 PLD1 (0.38) CTSCPLD1AROPRM1OPRL1
SCHEMBL5004185 0.76 PLD1 (0.38) CTSCPLD1AROPRM1OPRL1
SCHEMBL4437442 0.76 PLD1 (0.38) PLD1PARP2OPRM1OPRL1
SCHEMBL4445741 0.75 SMN1; SMN2 (0.44) PLD1OPRM1OPRL1
Hydrochloric Acid SCHEMBL4440163 0.75 PLD1 (0.38) PLD1AROPRM1OPRL1

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 6 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
US-20080287479-A1 INHIBITORS OF SERINE PALMITOYLTRANSFERASE PFIZER INC 2008-11-20 US 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
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 CTSC 299/4885SMYD3 3617/4885PLD1 351/4885

“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.