SCHEMBL4910280

SCHEMBL4910280

NCCCCN1CCN(c2ccc(F)cc2F)CC1

nearest known ligand 0.63

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADRA1B P35368 3/20 0.63
HTR1A P08908 3/20 0.52
ADRA1D P25100 2/20 0.52
ADRA1A P35348 2/20 0.52
HTR7 P34969 2/20 0.51
HTR6 P50406 2/20 0.51
SLC6A2 P23975 1/20 0.51
SLC6A3 Q01959 1/20 0.51
PTGS2 P35354 1/20 0.47
PARP1 P09874 1/20 0.47
KCNH2 Q12809 1/20 0.47
PARP2 Q9UGN5 1/20 0.47
CYP2D6 P10635 1/20 0.46
SIGMAR1 Q99720 1/20 0.45
ALDH1A1 P00352 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45

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
SCHEMBL22125822 0.89 ADRA1B (0.56) ADRA1BHTR1AADRA1DADRA1AHTR7
SCHEMBL8151383 0.87 ADRA1B (0.62) ADRA1BHTR1AADRA1DADRA1AHTR7
SCHEMBL7052673 0.85 ADRA1B (0.48) ADRA1BHTR1AADRA1AHTR7HTR6
SCHEMBL13321530 0.85 ADRA1B (0.60) ADRA1BHTR1AADRA1DADRA1AHTR7
SCHEMBL9536060 0.85 ADRA1B (0.60) ADRA1BHTR1AADRA1DADRA1AHTR7
SCHEMBL9536914 0.85 ADRA1B (0.60) ADRA1BHTR1AADRA1DADRA1AHTR7
SCHEMBL8146772 0.85 PTGS2 (0.62) ADRA1BHTR1AADRA1DADRA1AHTR7
Hydrochloric Acid SCHEMBL10573066 0.84 ADRA1B (0.62) ADRA1BHTR1AADRA1DADRA1AHTR7
SCHEMBL8828407 0.82 ADRA1B (0.48) ADRA1BHTR1AADRA1DADRA1AHTR7
SCHEMBL7058033 0.82 DRD3 (0.55) ADRA1BHTR1AADRA1ASLC6A2SLC6A3

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-20080275028-A1 Modulators or Alpha7 Nicotinic Acetylcholine Receptors and Therapeutic Uses Thereof SIENA BIOTECH S.P.A. (IT) 2008-11-06 US disclosed
EP-1778658-A2 MODULATORS OF ALPHA7 NICOTINIC ACETYLCHOLINE RECEPTORS AND THERAPEUTIC USES THEREOF Siena Biotech S.p.A. (IT) 2007-05-02 EP disclosed
WO-2006008133-A2 MODULATORS OF ALPHA7 NICOTINIC ACETYLCHOLINE RECEPTORS AND THERAPEUTIC USES THEREOF SIENA BIOTECH S.P.A. (IT) 2006-01-26 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-20080275028-A1 Modulators or Alpha7 Nicotinic Acetylcholine Receptors and Therapeutic Uses Thereof CHRNA7, CHRNA5, CHRNA1 ADRA1B 54/4885HTR1A 108/4885ADRA1D 50/4885

“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.