SCHEMBL13723937

SCHEMBL13723937

C[C@@H]1CN([C@@H](c2ccc(F)cc2)C(F)(F)F)CCN1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.46
SIGMAR1 Q99720 2/20 0.39
SLC6A2 P23975 4/20 0.35
SLC6A4 P31645 4/20 0.35
SLC6A3 Q01959 3/20 0.35
CYP2D6 P10635 2/20 0.35
KCNH2 Q12809 2/20 0.35
TACR1 P25103 1/20 0.34
MLNR O43193 2/20 0.33
HTR2C P28335 1/20 0.33
XIAP P98170 1/20 0.33
DPP4 P27487 1/20 0.33
DPP8 Q6V1X1 1/20 0.33
DPP7 Q9UHL4 1/20 0.33
CHRM2 P08172 1/20 0.33
CHRM1 P11229 1/20 0.33
CSNK1E P49674 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
SCHEMBL13723347 1.00 HRH3 (0.46) HRH3SIGMAR1SLC6A2SLC6A4SLC6A3
SCHEMBL4099833 0.87 HRH3 (0.42) HRH3SIGMAR1SLC6A2SLC6A4CYP2D6
SCHEMBL4094666 0.87 HRH3 (0.42) HRH3SIGMAR1SLC6A2SLC6A4CYP2D6
SCHEMBL7437112 0.82 HRH3 (0.58) HRH3SIGMAR1SLC6A2SLC6A4SLC6A3
SCHEMBL4088775 0.81 HRH3 (0.48) HRH3SIGMAR1SLC6A2SLC6A4SLC6A3
SCHEMBL4505701 0.81 HRH3 (0.48) HRH3SIGMAR1SLC6A2SLC6A4SLC6A3
SCHEMBL3877345 0.81 HRH3 (0.48) HRH3SIGMAR1SLC6A2SLC6A4SLC6A3
SCHEMBL30330107 0.79 SLC6A2 (0.48) SIGMAR1SLC6A2SLC6A4SLC6A3CYP2D6
SCHEMBL23599969 0.77 HRH3 (0.46) HRH3SIGMAR1SLC6A2SLC6A4SLC6A3
SCHEMBL13749400 0.77 HRH3 (0.51) HRH3SIGMAR1SLC6A2SLC6A4SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090215778-A1 Alpha-substituted Arylmethyl Piperazine Pyrazolo [1,5-alpha]Pyrimidine Amide Derivatives PANACOS PHARMACEUTICALS, INC. (US) 2009-08-27 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-20090215778-A1 Alpha-substituted Arylmethyl Piperazine Pyrazolo [1,5-alpha]Pyrimidine Amide Derivatives THPO, DPYD, TPMT HRH3 2328/4885SIGMAR1 1268/4885SLC6A2 4212/4885

“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.