SCHEMBL3781995

SCHEMBL3781995

CN1CCCC1CCc1ccc(Br)cc1

nearest known ligand 0.65

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.51
CHRNA7 P36544 1/20 0.51
CHRNA4 P43681 1/20 0.51
SLC18A2 Q05940 1/20 0.49
DRD2 P14416 2/20 0.48
HTR2A P28223 2/20 0.48
HTR7 P34969 2/20 0.48
HTR6 P50406 2/20 0.48
PIM1 P11309 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
SCHEMBL21000877 0.84 SLC18A2 (0.49) SLC18A2
SCHEMBL11385086 0.83 CHRNB2 (0.54) CHRNB2CHRNA7CHRNA4DRD2HTR2A
SCHEMBL2691261 0.83 SLC18A2 (0.70) SLC18A2
SCHEMBL28290323 0.83 SPHK2 (0.50) SLC18A2
SCHEMBL614409 0.80 SLC18A2 (0.45) SLC18A2
SCHEMBL614277 0.79 SLC18A2 (0.44) CHRNB2CHRNA7CHRNA4SLC18A2HTR2A
SCHEMBL9963995 0.79 SLC18A2 (0.68) SLC18A2
SCHEMBL11448032 0.78 ESRRG (0.61) CHRNB2CHRNA7CHRNA4
SCHEMBL11474181 0.77 DRD2 (0.48) CHRNB2CHRNA7CHRNA4DRD2HTR2A
SCHEMBL11447668 0.76 ESRRG (0.59) CHRNB2CHRNA7CHRNA4DRD2HTR2A

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-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
EP-2265587-A1 MODULATORS OF THE HISTAMINE H3 RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO Arena Pharmaceuticals, Inc. (US) 2010-12-29 EP disclosed
WO-2009105206-A1 MODULATORS OF THE HISTAMINE H3 RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO ARENA PHARMACEUTICALS, INC. (US) 2009-08-27 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-20100331312-A1 MODULATORS OF THE HISTAMINE H3 RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO HRH3, HRH4, HRH1 CHRNB2 319/4885CHRNA7 143/4885CHRNA4 112/4885

“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.