SCHEMBL6097725

SCHEMBL6097725

O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2)c1cc(C(F)(F)F)c(F)cn1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 2/20 0.37
TAS1R1 Q7RTX1 2/20 0.37
TAS1R2 Q8TE23 2/20 0.37
SCN9A Q15858 1/20 0.35
CHRNB2 P17787 4/20 0.35
CHRNA4 P43681 4/20 0.35
HCRTR1 O43613 2/20 0.33
KDM1A O60341 1/20 0.33
SLC6A2 P23975 2/20 0.33
SLC6A4 P31645 2/20 0.33
SLC6A3 Q01959 2/20 0.33
CHRNA1 P02708 1/20 0.33
CHRNG P07510 1/20 0.33
ITGA5 P08648 1/20 0.33
CHRNB1 P11230 1/20 0.33
CHRNB4 P30926 1/20 0.33
CHRNA3 P32297 1/20 0.33
CHRND Q07001 1/20 0.33
KCNQ3 O43525 1/20 0.33
KCNQ2 O43526 1/20 0.33

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
SCHEMBL6099231 0.91 SCN9A (0.37) TAS1R3TAS1R1TAS1R2SCN9ACHRNB2
SCHEMBL6099134 0.88 RAF1 (0.37) SCN9ACHRNB2CHRNA4HCRTR1SLC6A4
SCHEMBL6098286 0.86 SCN9A (0.35) SCN9ACHRNB2CHRNA4HCRTR1SLC6A4
SCHEMBL6099080 0.84 CHRNB2 (0.35) TAS1R3TAS1R1TAS1R2CHRNB2CHRNA4
SCHEMBL6100566 0.82 CHRNB2 (0.35) CHRNB2CHRNA4SLC6A4SLC6A3CHRNA1
SCHEMBL6098610 0.80 TAS1R3 (0.35) TAS1R3TAS1R1TAS1R2HCRTR1KCNQ3
SCHEMBL6099222 0.80 TAS1R3 (0.35) TAS1R3TAS1R1TAS1R2HCRTR1KCNQ3
SCHEMBL6098147 0.79 SCN9A (0.38) TAS1R3TAS1R1TAS1R2SCN9ACHRNB2
SCHEMBL6098641 0.78 HCRTR1 (0.33) SCN9ACHRNB2CHRNA4HCRTR1KDM1A
SCHEMBL6100927 0.78 CHRNB2 (0.35) SCN9ACHRNB2CHRNA4HCRTR1SLC6A3

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 3 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
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 TAS1R3 4186/4885TAS1R1 3628/4885TAS1R2 3893/4885

“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.