SCHEMBL4433004

SCHEMBL4433004

CNC(=O)c1cc2[nH]c(=O)n(C3CCN(C(=O)OC(C)(C)C)CC3)c2cc1F

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 2/20 0.45
CCR5 P51681 2/20 0.44
HSD11B1 P28845 5/20 0.43
CHRM2 P08172 2/20 0.41
CHRM4 P08173 2/20 0.41
CHRM5 P08912 2/20 0.41
CHRM1 P11229 2/20 0.41
CHRM3 P20309 2/20 0.41
MAPT P10636 2/20 0.41
KDM4E B2RXH2 1/20 0.41
THRB P10828 1/20 0.41
KCNH2 Q12809 1/20 0.41
PARP1 P09874 1/20 0.40
PLD2 O14939 3/20 0.40
PLD1 Q13393 3/20 0.40
CNR1 P21554 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
GPR35 Q9HC97 1/20 0.39
GPR55 Q9Y2T6 1/20 0.39
USP30 Q70CQ3 1/20 0.39

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
SCHEMBL4435610 0.90 CCR5 (0.44) SCN9ACCR5HSD11B1CHRM2CHRM4
SCHEMBL4434718 0.89 CCR5 (0.47) SCN9ACCR5HSD11B1CHRM2CHRM4
SCHEMBL20599032 0.88 CCR5 (0.49) CCR5HSD11B1CHRM2CHRM4CHRM5
SCHEMBL14008565 0.86 PLD2 (0.43) PLD2PLD1CNR1
SCHEMBL24895536 0.84 CCR5 (0.49) CCR5HSD11B1CHRM2CHRM4CHRM5
SCHEMBL4440194 0.84 CHRM2 (0.41) HSD11B1CHRM2CHRM4CHRM5CHRM1
SCHEMBL4645974 0.83 CHRM1 (0.59) CCR5HSD11B1CHRM2CHRM4CHRM5
SCHEMBL14008495 0.83 USP2 (0.43) HSD11B1CHRM2CHRM4CHRM5CHRM1
SCHEMBL4440175 0.83 USP2 (0.54) CCR5HSD11B1CHRM2CHRM4CHRM5
SCHEMBL4647969 0.82 CCR5 (0.46) CCR5HSD11B1CHRM2CHRM4CHRM5

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
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

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 SCN9A 4246/4885CCR5 1132/4885HSD11B1 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.