SCHEMBL4436944

SCHEMBL4436944

CCc1ccc(C(=O)CN2CCC(n3c(=O)[nH]c4cc(C(=O)NC)c(F)cc43)CC2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLD2 O14939 18/20 0.47
PLD1 Q13393 17/20 0.47
DRD2 P14416 2/20 0.44
KCNH2 Q12809 2/20 0.44
YEATS4 O95619 1/20 0.44
MLNR O43193 1/20 0.43
LMNA P02545 1/20 0.43
PGR P06401 1/20 0.43
ADRB2 P07550 1/20 0.43
CHRM2 P08172 1/20 0.43
ADRB1 P08588 1/20 0.43
HTR1A P08908 1/20 0.43
ADRA2A P08913 1/20 0.43
CYP2D6 P10635 1/20 0.43
CHRM1 P11229 1/20 0.43
GABRA1 P14867 1/20 0.43
ADRA2B P18089 1/20 0.43
ADRA2C P18825 1/20 0.43
CHRM3 P20309 1/20 0.43
DRD1 P21728 1/20 0.43

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
Hydrochloric Acid SCHEMBL4554319 0.99 PLD2 (0.47) PLD2PLD1DRD2KCNH2YEATS4
SCHEMBL4439022 0.91 PLD2 (0.55) PLD2PLD1DRD2KCNH2YEATS4
SCHEMBL4440106 0.85 YEATS4 (0.56) PLD2PLD1KCNH2YEATS4ADRB2
SCHEMBL4434580 0.85 PLD2 (0.47) PLD2PLD1DRD2KCNH2CHRM2
SCHEMBL5000791 0.82 OPRM1 (0.52) PLD2PLD1DRD2KCNH2YEATS4
SCHEMBL5000726 0.82 PLD2 (0.53) PLD2PLD1DRD2KCNH2YEATS4
SCHEMBL4434535 0.81 PLD2 (0.45) PLD2PLD1DRD2KCNH2YEATS4
Hydrochloric Acid SCHEMBL4437585 0.81 PLD2 (0.53) PLD2PLD1DRD2KCNH2YEATS4
SCHEMBL4432988 0.81 PLD2 (0.44) PLD2PLD1DRD2KCNH2YEATS4
SCHEMBL4435629 0.81 PLD2 (0.44) PLD2PLD1DRD2KCNH2YEATS4

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 9 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 claimed
US-20080287479-A1 INHIBITORS OF SERINE PALMITOYLTRANSFERASE PFIZER INC 2008-11-20 US claimed
WO-2008084300-A1 INHIBITORS OF SERINE PALMITOYLTRANSFERASE PFIZER PRODUCTS INC. (US) 2008-07-17 WO claimed
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 PLD2 917/4885PLD1 351/4885DRD2 4274/4885

“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.