SCHEMBL6099401

SCHEMBL6099401

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

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 4/20 0.33
BCR P11274 4/20 0.33
JUN P05412 1/20 0.33
NFKB1 P19838 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33
CNR2 P34972 1/20 0.33
CHRNB2 P17787 1/20 0.33
CHRNB4 P30926 1/20 0.33
CHRNA3 P32297 1/20 0.33
CHRNA4 P43681 1/20 0.33
ASPH Q12797 1/20 0.33
AKT1 P31749 1/20 0.33
PDE2A O00408 1/20 0.32
HCRTR1 O43613 2/20 0.32
ALOX15 P16050 1/20 0.32
GRM4 Q14833 1/20 0.32
RAF1 P04049 1/20 0.32
FLT3 P36888 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
SCHEMBL6100850 0.91 CBLB (0.36) ABL1BCRJUNNFKB1NFKB2
SCHEMBL6098638 0.88 ASPH (0.33) ASPHPDE2AHCRTR1
SCHEMBL6099222 0.86 TAS1R3 (0.35) ASPHPDE2AHCRTR1GRM4RAF1
SCHEMBL6097551 0.85 CHRNB2 (0.34) CNR2CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL6100054 0.84 CHRNB2 (0.35) CNR2CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL6099397 0.83 CHRNB2 (0.34) CNR2CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL6098752 0.82 CHRNB2 (0.35) CNR2CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL6098194 0.81 XPO1 (0.35) PDE2AFLT3
SCHEMBL843512 0.81 CHRNA7 (0.33)
SCHEMBL6098747 0.80 TAS1R3 (0.36) CNR2GRM4

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 ABL1 236/4885BCR 225/4885JUN 4665/4885

“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.