SCHEMBL4535006

SCHEMBL4535006

CC1CCCN1CCN1CCc2cc(OS(=O)(=O)C(F)(F)F)ccc2C1

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 16/20 0.46
DRD3 P35462 16/20 0.46
DRD1 P21728 2/20 0.44
DRD4 P21917 2/20 0.44
DRD5 P21918 2/20 0.44
HTR1D P28221 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
SCHEMBL4535003 1.00 DRD2 (0.46) DRD2DRD3DRD1DRD4DRD5
SCHEMBL4534017 0.84 HRH3 (0.53) DRD2DRD3DRD1DRD5
SCHEMBL4534013 0.84 HRH3 (0.53) DRD2DRD3DRD1DRD5
SCHEMBL3654090 0.84 DRD2 (0.52) DRD2DRD3
SCHEMBL4540321 0.77 HTR1A (0.46) DRD2DRD3DRD1DRD5
SCHEMBL4540323 0.77 HTR1A (0.46) DRD2DRD3DRD1DRD5
SCHEMBL3653012 0.77 HRH3 (0.47) DRD2DRD3DRD1DRD4DRD5
SCHEMBL3778639 0.77 HRH3 (0.47) DRD2DRD3DRD1DRD4DRD5
SCHEMBL23929169 0.77 DRD2 (0.48) DRD2DRD3
SCHEMBL3654484 0.75 HRH3 (0.62) DRD2DRD3

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-20090069300-A1 ISOQUINOLINYL AND ISOINDOLINYL DERIVATIVES AS HISTAMINE-3 ANTAGONISTS WYETH (US) 2009-03-12 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-20090069300-A1 ISOQUINOLINYL AND ISOINDOLINYL DERIVATIVES AS HISTAMINE-3 ANTAGONISTS HRH4, HRH3, HRH2 DRD2 255/4885DRD3 161/4885DRD1 684/4885

“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.