SCHEMBL5210548

SCHEMBL5210548

CN1CCN(c2nccnc2CC2OCCN(c3ccc(C(C)(C)C)cc3)C2=O)CC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 1/20 0.36
DRD2 P14416 3/20 0.33
DRD3 P35462 3/20 0.33
HTR2A P28223 2/20 0.33
KCNH2 Q12809 1/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
F9 P00740 1/20 0.33
RAB9A P51151 1/20 0.33
CCNK O75909 1/20 0.33
CCND3 P30281 1/20 0.33
CDK9 P50750 1/20 0.33
CDK6 Q00534 1/20 0.33
GRM2 Q14416 1/20 0.32
TLR9 Q9NR96 1/20 0.32
FPR2 P25090 1/20 0.32
HTR6 P50406 1/20 0.32
SMO Q99835 1/20 0.32
HSD11B1 P28845 1/20 0.32
HRH4 Q9H3N8 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
SCHEMBL5811923 0.87 DGAT1 (0.35) DGAT1DRD2DRD3KCNH2MEN1
SCHEMBL5214101 0.83 ROCK2 (0.35) DRD2DRD3HTR2AKCNH2MEN1
SCHEMBL5214801 0.82 FPR2 (0.39) DRD2DRD3HTR2AKCNH2MEN1
SCHEMBL5592486 0.78 DRD2 (0.39) DGAT1DRD2DRD3HTR2AKCNH2
SCHEMBL5592512 0.78 DRD2 (0.39) DGAT1DRD2DRD3HTR2AKCNH2
SCHEMBL5611716 0.78 DRD2 (0.39) DGAT1DRD2DRD3HTR2AKCNH2
Hydrochloric Acid SCHEMBL5739570 0.78 DRD2 (0.38) DGAT1DRD2DRD3HTR2AKCNH2
SCHEMBL5739125 0.76 F9 (0.36) DGAT1DRD2DRD3KCNH2F9
SCHEMBL5739972 0.76 F9 (0.37) DGAT1DRD2DRD3HTR2AKCNH2
SCHEMBL5737237 0.76 HSD11B1 (0.39) DGAT1DRD2DRD3HTR2AKCNH2

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-1753745-A2 PYRAZINYLMETHYL LACTAM DERIVATIVES Pfizer Products Inc. (US) 2007-02-21 EP claimed
US-20050282816-A1 Pyrazinylmethyl lactam derivatives PFIZER INC 2005-12-22 US claimed
WO-2005113535-A2 PYRAZINYLMETHYL LACTAM DERIVATIVES PFIZER PRODUCTS INC. (US) 2005-12-01 WO claimed
EP-1753745-A2 PYRAZINYLMETHYL LACTAM DERIVATIVES Pfizer Products Inc. (US) 2007-02-21 EP disclosed
US-20050282816-A1 Pyrazinylmethyl lactam derivatives PFIZER INC 2005-12-22 US disclosed
WO-2005113535-A2 PYRAZINYLMETHYL LACTAM DERIVATIVES PFIZER PRODUCTS INC. (US) 2005-12-01 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-20050282816-A1 Pyrazinylmethyl lactam derivatives HTR1A, HTR1D, HTR1B DGAT1 4667/4885DRD2 62/4885DRD3 57/4885

“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.