SCHEMBL5214801

SCHEMBL5214801

CN1CCN(c2nccnc2CC2CCCN(c3ccc(C(C)(C)C)cc3)C2=O)CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 1/20 0.39
DRD2 P14416 2/20 0.34
DRD3 P35462 2/20 0.34
KCNH2 Q12809 1/20 0.34
MEN1 O00255 1/20 0.33
RAB9A P51151 1/20 0.33
KMT2A Q03164 1/20 0.33
SMO Q99835 2/20 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
TRPV1 Q8NER1 1/20 0.33
LCK P06239 1/20 0.33
JAK3 P52333 1/20 0.33
HTR2A P28223 1/20 0.32
HTR6 P50406 1/20 0.32
HSD11B1 P28845 2/20 0.32
HRH1 P35367 1/20 0.32
HRH3 Q9Y5N1 2/20 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
SCHEMBL5214101 0.94 ROCK2 (0.35) FPR2DRD2DRD3KCNH2MEN1
SCHEMBL5808116 0.87 FPR2 (0.38) FPR2DRD2DRD3KCNH2MEN1
SCHEMBL5165708 0.87 FPR2 (0.40) FPR2KCNH2TRPV1HSD11B1
SCHEMBL5214300 0.83 HRH3 (0.37) FPR2DRD2DRD3KCNH2MEN1
SCHEMBL5210548 0.82 DGAT1 (0.36) FPR2DRD2DRD3KCNH2MEN1
SCHEMBL5213590 0.81 EGLN1 (0.34) FPR2DRD2DRD3HTR2AHRH3
SCHEMBL5166623 0.80 ROCK2 (0.40) KCNH2TRPV1HSD11B1
SCHEMBL5163829 0.79 FPR2 (0.41) FPR2
SCHEMBL5210531 0.77 HRH3 (0.35) DRD2DRD3KCNH2HTR2AHRH3
SCHEMBL5166513 0.75 ELANE (0.41) DRD2KMT2AHTR2AHRH4

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 FPR2 379/4885DRD2 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.