SCHEMBL5115316

SCHEMBL5115316

c1cc(N2CCN3CCCC2CCC3)ccn1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CHKA P35790 1/20 0.42
MAPT P10636 2/20 0.42
NPSR1 Q6W5P4 2/20 0.42
CHRNA7 P36544 4/20 0.41
LMNA P02545 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
KDM4E B2RXH2 2/20 0.37
HTR3A P46098 2/20 0.35
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
KMT2A Q03164 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35
ADRB2 P07550 1/20 0.35
NCF1 P14598 1/20 0.35
PLD1 Q13393 1/20 0.35
KCNH2 Q12809 1/20 0.35

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
SCHEMBL5114505 0.97 CHRNA7 (0.46) CHKAMAPTNPSR1CHRNA7LMNA
SCHEMBL5112649 0.90 MAPT (0.40) CHKAMAPTNPSR1CHRNA7LMNA
SCHEMBL5113006 0.81 CHRNA7 (0.37) CHRNA7HRH3
SCHEMBL5122462 0.80 CHRNB2 (0.48) MAPTCHRNA7LMNATDP1ALDH1A1
SCHEMBL5111231 0.79 MAPT (0.46) CHKAMAPTNPSR1CHRNA7LMNA
SCHEMBL5111991 0.79 CHRNA7 (0.41) CHRNA7HTR3AHRH3KCNH2
SCHEMBL5108239 0.79 MAPT (0.42) CHKAMAPTNPSR1CHRNA7LMNA
SCHEMBL5122493 0.79 CHRNB2 (0.41) CHRNA7HTR3AKCNH2
SCHEMBL5111041 0.78 CHRNA7 (0.48) MAPTCHRNA7HTR3A
Hydrochloric Acid SCHEMBL5120626 0.77 CHRNA7 (0.43) CHKAMAPTNPSR1CHRNA7LMNA

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 CHKA 399/4885MAPT 319/4885NPSR1 156/4885

“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.