SCHEMBL5122810

SCHEMBL5122810

Brc1ccc(N2CCN3CC2C3)nc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 1/20 0.41
GRIN3B O60391 1/20 0.41
GRIN1 Q05586 1/20 0.41
GRIN2A Q12879 1/20 0.41
GRIN2B Q13224 1/20 0.41
GRIN2C Q14957 1/20 0.41
GRIN3A Q8TCU5 1/20 0.41
AKR1C3 P42330 1/20 0.38
PDE10A Q9Y233 1/20 0.36
KCNH2 Q12809 2/20 0.35
HTR3A P46098 1/20 0.35
ALDH1A1 P00352 5/20 0.34
ACACB O00763 1/20 0.32
KDM4E B2RXH2 3/20 0.32
PANK3 Q9H999 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
OGA O60502 1/20 0.32
MAPT P10636 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
SCHEMBL5107801 0.89 HTR3A (0.41) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
Hydrochloric Acid SCHEMBL5115685 0.88 HTR3A (0.40) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL5109400 0.86 PDE10A (0.38) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL5116195 0.83 HTR3A (0.41) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL5112298 0.80 HTR3A (0.45) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL5107967 0.80 CNR2 (0.40) PDE10AKCNH2HTR3ANPC1CHRNA7
SCHEMBL5112357 0.75 CHRNA7 (0.43) KCNH2CHRNA7
SCHEMBL5108382 0.72 PLD1 (0.43) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL5122515 0.71 CHRNA7 (0.42) GRIN2BKCNH2CHRNA7
SCHEMBL5123098 0.71 CHRNA7 (0.42) KCNH2CHRNA7

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
US-20040106603-A1 Diazabicyclic compounds useful in the treatment of CNS and other disorders PFIZER INC 2004-06-03 US claimed
US-7442694-B2 Diazabicyclic compounds useful in the treatment of CNS and other disorders PFIZER INC (US) 2008-10-28 US disclosed
EP-1551843-A1 DIAZABICYCLIC COMPOUNDS USEFUL IN THE TREATMENT OF CNS AND OTHER DISORDERS Pfizer Products Inc. (US) 2005-07-13 EP disclosed
US-20040106603-A1 Diazabicyclic compounds useful in the treatment of CNS and other disorders PFIZER INC 2004-06-03 US disclosed
WO-2004024729-A1 DIAZABICYCLIC COMPOUNDS USEFUL IN THE TREATMENT OF CNS AND OTHER DISORDERS PFIZER PRODUCTS INC. (US) 2004-03-25 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-20040106603-A1 Diazabicyclic compounds useful in the treatment of CNS and other disorders DBH, CHRNA6, DDT GRIN2D 47/4885GRIN3B 54/4885GRIN1 39/4885

“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.