SCHEMBL6099320

SCHEMBL6099320

O=C(NC1CC2CC1CN2)c1ncccn1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.43
GRM5 P41594 2/20 0.37
CHRNB2 P17787 1/20 0.33
CHRNB4 P30926 1/20 0.33
CHRNA3 P32297 1/20 0.33
CHRNA4 P43681 1/20 0.33
KDM5A P29375 1/20 0.32
ALDH1A1 P00352 1/20 0.31
TSHR P16473 1/20 0.31
KDM4E B2RXH2 1/20 0.31
DHODH Q02127 1/20 0.31
CHRNA7 P36544 4/20 0.30
HTR3A P46098 1/20 0.30
HSD11B1 P28845 1/20 0.30
IRAK4 Q9NWZ3 1/20 0.30

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
SCHEMBL6099636 0.86 CHRNB2 (0.39) GRM5CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL6098568 0.83 GRM5 (0.53) GRM5CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL6100205 0.79 CHRNB2 (0.36) P2RX7CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL6101577 0.78 CHRNB2 (0.35) CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL6101327 0.77 CHRNB2 (0.34) CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL6099923 0.77 CHRNB2 (0.34) P2RX7CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL6098549 0.76 HTR3A (0.60) ALDH1A1CHRNA7HTR3A
SCHEMBL6100353 0.75 MAOB (0.44) CHRNB2CHRNB4CHRNA3CHRNA4CHRNA7
SCHEMBL6488734 0.75 CCNE1 (0.35) CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL6496323 0.75 CHRNB2 (0.37) CHRNB2CHRNB4CHRNA3CHRNA4CHRNA7

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-20030236270-A1 Azabicyclic compounds for the treatment of disease PHARMACIA & UPJOHN COMPANY 2003-12-25 US claimed
US-7001900-B2 Azabicyclic compounds for the treatment of disease PFIZER INC. (US) 2006-02-21 US disclosed
EP-1478646-A1 AZABICYCLIC COMPOUNDS WITH ALFA7 NICOTINIC ACETYLCHOLINE RECEPTOR ACTIVITY PHARMACIA & UPJOHN COMPANY (US) 2004-11-24 EP disclosed
US-20030236270-A1 Azabicyclic compounds for the treatment of disease PHARMACIA & UPJOHN COMPANY 2003-12-25 US disclosed
WO-2003072578-A1 AZABICYCLIC COMPOUNDS WITH ALFA7 NICOTINIC ACETYLCHOLINE RECEPTOR ACTIVITY PHARMACIA & UPJOHN COMPANY (US) 2003-09-04 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-20030236270-A1 Azabicyclic compounds for the treatment of disease MALT1, TPMT, CYP2B6 P2RX7 725/4885GRM5 1965/4885CHRNB2 2627/4885

“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.