SCHEMBL6100683

SCHEMBL6100683

O=C(N[C@@H]1C[C@@H]2CCN(C2)C1)c1ccc(C(F)(F)F)c(F)n1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 9/20 0.51
CHRNB2 P17787 4/20 0.37
CHRNB4 P30926 4/20 0.37
CHRNA3 P32297 4/20 0.37
CHRNA4 P43681 4/20 0.37
F2R P25116 1/20 0.37
PRKAA2 P54646 1/20 0.36
RBP4 P02753 1/20 0.35
TTR P02766 1/20 0.35
HSD11B1 P28845 1/20 0.34
TLR7 Q9NYK1 1/20 0.34
USP30 Q70CQ3 1/20 0.34
TAS1R3 Q7RTX0 1/20 0.34
TAS1R1 Q7RTX1 1/20 0.34
TAS1R2 Q8TE23 1/20 0.34

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
SCHEMBL6100676 1.00 CHRNA7 (0.51) CHRNA7CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL6100157 0.94 CHRNA7 (0.44) CHRNA7CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL6098946 0.88 CHRNA7 (0.55) CHRNA7CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL6098953 0.88 CHRNA7 (0.55) CHRNA7CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL6097107 0.84 CHRNA7 (0.53) CHRNA7CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL6097101 0.84 CHRNA7 (0.53) CHRNA7CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL6101050 0.84 CHRNA7 (0.58) CHRNA7PRKAA2HSD11B1
SCHEMBL6101043 0.84 CHRNA7 (0.58) CHRNA7PRKAA2HSD11B1
SCHEMBL6101810 0.82 CHRNA7 (0.47) CHRNA7CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL6099045 0.81 CHRNA7 (0.48) CHRNA7RBP4TTRUSP30

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7001900-B2 Azabicyclic compounds for the treatment of disease PFIZER INC. (US) 2006-02-21 US claimed
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 CHRNA7 1836/4885CHRNB2 2627/4885CHRNB4 3181/4885

“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.