SCHEMBL5111231

SCHEMBL5111231

c1cc(N2CCN3CC2C3)ccn1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.46
NPSR1 Q6W5P4 3/20 0.46
L3MBTL1 Q9Y468 2/20 0.43
TDP1 Q9NUW8 2/20 0.43
LMNA P02545 1/20 0.43
CHKA P35790 1/20 0.42
ADRB2 P07550 1/20 0.38
NCF1 P14598 1/20 0.38
PLD1 Q13393 1/20 0.38
GAA P10253 1/20 0.38
HTT P42858 2/20 0.35
MAPK1 P28482 1/20 0.35
CHRNA7 P36544 2/20 0.35
CYP1A2 P05177 1/20 0.33
CYP2C19 P33261 1/20 0.33
EED O75530 1/20 0.33
USP2 O75604 1/20 0.33
BCHE P06276 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
SCHEMBL5108239 0.87 MAPT (0.42) MAPTNPSR1L3MBTL1TDP1LMNA
Hydrochloric Acid SCHEMBL5120626 0.85 CHRNA7 (0.43) MAPTNPSR1L3MBTL1TDP1LMNA
SCHEMBL5112649 0.84 MAPT (0.40) MAPTNPSR1L3MBTL1TDP1LMNA
SCHEMBL5115316 0.79 CHKA (0.42) MAPTNPSR1L3MBTL1TDP1LMNA
SCHEMBL5114054 0.79 CHRNB4 (0.41) MAPTNPSR1L3MBTL1TDP1LMNA
SCHEMBL5114505 0.77 CHRNA7 (0.46) MAPTNPSR1L3MBTL1TDP1LMNA
SCHEMBL5116964 0.76 CHRNB2 (0.44)
SCHEMBL5109246 0.70 CHRNB2 (0.57) L3MBTL1GAA
SCHEMBL5111997 0.69 CHRNB2 (0.54) CHRNA7
SCHEMBL5123304 0.69 CHRNB2 (0.52) MAPTNPSR1TDP1HTTCHRNA7

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 MAPT 319/4885NPSR1 156/4885L3MBTL1 3873/4885

“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.