SCHEMBL6098178

SCHEMBL6098178

O=C(N[C@@H]1C[C@@H]2CCN(C2)C1)c1ncc(C(F)(F)F)c(Cl)n1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 8/20 0.51
MAPK3 P27361 2/20 0.35
LRRK2 Q5S007 2/20 0.34
CCNC P24863 1/20 0.33
CDK8 P49336 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
PTK2 Q05397 1/20 0.33
FAAH O00519 1/20 0.33
RBP4 P02753 1/20 0.33
TTR P02766 1/20 0.33
HCRTR2 O43614 1/20 0.33
LCK P06239 1/20 0.32
JAK3 P52333 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
SCHEMBL6098174 1.00 CHRNA7 (0.51) CHRNA7MAPK3LRRK2CCNCCDK8
SCHEMBL6100472 0.95 CHRNA7 (0.44) CHRNA7MAPK3LRRK2CCNCCDK8
SCHEMBL6634932 0.88 CHRNA7 (0.48) CHRNA7MAPK3LRRK2RBP4TTR
SCHEMBL6099045 0.88 CHRNA7 (0.48) CHRNA7MAPK3LRRK2RBP4TTR
SCHEMBL6099035 0.88 CHRNA7 (0.48) CHRNA7MAPK3LRRK2RBP4TTR
SCHEMBL6635522 0.86 CHRNA7 (0.54) CHRNA7
SCHEMBL6099455 0.86 CHRNA7 (0.54) CHRNA7
SCHEMBL6099459 0.86 CHRNA7 (0.54) CHRNA7
SCHEMBL6100593 0.85 CHRNA7 (0.51) CHRNA7CCNCCDK8MEN1KMT2A
SCHEMBL6636524 0.85 CHRNA7 (0.51) CHRNA7CCNCCDK8MEN1KMT2A

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 4 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
US-20030236270-A1 Azabicyclic compounds for the treatment of disease PHARMACIA & UPJOHN COMPANY 2003-12-25 US 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 1836/4885MAPK3 4161/4885LRRK2 4349/4885

“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.