SCHEMBL3778639

SCHEMBL3778639

C[C@@H]1CCCN1CCc1ccc(OS(=O)(=O)C(F)(F)F)cc1F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 12/20 0.47
DRD2 P14416 3/20 0.45
DRD1 P21728 3/20 0.45
DRD4 P21917 3/20 0.45
DRD5 P21918 3/20 0.45
DRD3 P35462 3/20 0.45
JAK2 O60674 1/20 0.43
ROCK2 O75116 1/20 0.43
PRKD3 O94806 1/20 0.43
PRKCG P05129 1/20 0.43
PHKG2 P15735 1/20 0.43
RPS6KB1 P23443 1/20 0.43
MARK3 P27448 1/20 0.43
PRKCI P41743 1/20 0.43
CLK2 P49760 1/20 0.43
IRAK1 P51617 1/20 0.43
RPS6KA3 P51812 1/20 0.43
PRKCD Q05655 1/20 0.43
MAP4K2 Q12851 1/20 0.43
STK3 Q13188 1/20 0.43

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
SCHEMBL3653012 1.00 HRH3 (0.47) HRH3DRD2DRD1DRD4DRD5
SCHEMBL3782396 0.82 HRH3 (0.65) HRH3
SCHEMBL3782401 0.82 HRH3 (0.65) HRH3
SCHEMBL13863632 0.79 HRH3 (0.54) HRH3
SCHEMBL4535006 0.77 DRD2 (0.46) DRD2DRD1DRD4DRD5DRD3
SCHEMBL4535003 0.77 DRD2 (0.46) DRD2DRD1DRD4DRD5DRD3
SCHEMBL3782610 0.76 HRH3 (0.59) HRH3
SCHEMBL3659624 0.76 HRH3 (0.59) HRH3
SCHEMBL3780848 0.75 HRH3 (0.48) HRH3
SCHEMBL3780846 0.75 HRH3 (0.48) HRH3

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-20100331312-A1 MODULATORS OF THE HISTAMINE H3 RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO ARENA PHARMACEUTICALS, INC. (US) 2010-12-30 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-20100331312-A1 MODULATORS OF THE HISTAMINE H3 RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO HRH3, HRH4, HRH1 HRH3 1/4885DRD2 324/4885DRD1 382/4885

“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.