SCHEMBL4779972

SCHEMBL4779972

c1ccc(C2CN(c3nc4ccccc4o3)CCN2)cc1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 1/20 0.46
HTR3A P46098 1/20 0.46
LMNA P02545 5/20 0.44
MAPT P10636 3/20 0.44
PDE10A Q9Y233 1/20 0.43
GSK3B P49841 2/20 0.43
HCRTR1 O43613 2/20 0.42
HCRTR2 O43614 2/20 0.42
TSHR P16473 2/20 0.41
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
HTT P42858 2/20 0.41
CRBN Q96SW2 1/20 0.41
SORD Q00796 1/20 0.41
PRKCQ Q04759 3/20 0.41
PRKCD Q05655 1/20 0.41
GAA P10253 1/20 0.40

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
SCHEMBL4778322 0.80 CHRNA7 (0.49) CHRNA7HTR3ALMNAMAPTHCRTR1
SCHEMBL28320412 0.76 CHRNA7 (0.51) CHRNA7HTR3ALMNAMAPTPDE10A
SCHEMBL195554 0.76 HTR6 (0.53) CHRNA7HTR3ALMNAMAPTTSHR
Hydrochloric Acid SCHEMBL4058879 0.75 HTR6 (0.52) CHRNA7HTR3ALMNAMAPTTSHR
SCHEMBL4326449 0.74 CHRNA7 (0.46) CHRNA7HTR3ALMNAMAPTPDE10A
SCHEMBL5021497 0.74 LMNA (0.54) CHRNA7HTR3ALMNAMAPTPDE10A
SCHEMBL2708307 0.73 ADRB1 (0.50) HTR3APDE10AGSK3BPRKCQPRKCD
SCHEMBL27471402 0.72 HTR3A (0.50) HTR3APDE10AGSK3BHCRTR1HCRTR2
SCHEMBL22657643 0.71 CHRNA7 (0.51) CHRNA7HTR3ALMNAMAPTPDE10A
SCHEMBL7926549 0.71 LMNA (0.54) CHRNA7HTR3ALMNAMAPTPDE10A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080076924-A1 Piperazines as P2X7 antagonists ABBOTT LABORATORIES 2008-03-27 US disclosed
WO-2008005368-A2 PIPERAZINES AS P2X7 ANTAGONISTS ABBOTT LABORATORIES (US) 2008-01-10 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-20080076924-A1 Piperazines as P2X7 antagonists P2RX7, P2RX1, P2RX2 CHRNA7 483/4885HTR3A 180/4885LMNA 2852/4885

“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.