SCHEMBL6099397

SCHEMBL6099397

O=C(NC1CC2CNC1C2)c1cc(F)c(Cl)cn1

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.34
CHRNB4 P30926 1/20 0.34
CHRNA3 P32297 1/20 0.34
CHRNA4 P43681 1/20 0.34
CHRM4 P08173 5/20 0.34
AKT1 P31749 2/20 0.34
KCNQ3 O43525 2/20 0.32
KCNQ2 O43526 2/20 0.32
KCNE1 P15382 2/20 0.32
KCNQ1 P51787 2/20 0.32
CHRM5 P08912 1/20 0.31
HPGD P15428 1/20 0.31
TAS1R3 Q7RTX0 1/20 0.31
TAS1R1 Q7RTX1 1/20 0.31
TAS1R2 Q8TE23 1/20 0.31
KCNQ5 Q9NR82 1/20 0.30
CNR2 P34972 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
SCHEMBL6097551 0.91 CHRNB2 (0.34) CHRNB2CHRNB4CHRNA3CHRNA4CHRM4
SCHEMBL6098752 0.87 CHRNB2 (0.35) CHRNB2CHRNB4CHRNA3CHRNA4CHRM4
SCHEMBL6100850 0.85 CBLB (0.36) AKT1CNR2
SCHEMBL6100054 0.85 CHRNB2 (0.35) CHRNB2CHRNB4CHRNA3CHRNA4CHRM4
SCHEMBL6098638 0.84 ASPH (0.33) KCNQ3KCNQ2KCNE1KCNQ1TAS1R3
SCHEMBL6099401 0.83 ABL1 (0.33) CHRNB2CHRNB4CHRNA3CHRNA4AKT1
SCHEMBL6099222 0.82 TAS1R3 (0.35) KCNQ3KCNQ2KCNE1KCNQ1TAS1R3
SCHEMBL843103 0.81 CHRNA7 (0.35)
SCHEMBL6098747 0.81 TAS1R3 (0.36) CHRM4HPGDTAS1R3TAS1R1CNR2
SCHEMBL6101313 0.81 MAOB (0.41) CHRNB2CHRNB4CHRNA3CHRNA4

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 CHRNB2 2627/4885CHRNB4 3181/4885CHRNA3 2220/4885

“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.