SCHEMBL4534017

SCHEMBL4534017

COc1ccc2c(c1)CCN(CCN1CCCC1C)C2

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 6/20 0.53
ABCB1 P08183 2/20 0.49
DRD1 P21728 2/20 0.48
DRD5 P21918 2/20 0.48
PRMT5 O14744 1/20 0.47
DRD2 P14416 1/20 0.47
DRD3 P35462 1/20 0.47

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
SCHEMBL4534013 1.00 HRH3 (0.53) HRH3ABCB1DRD1DRD5PRMT5
SCHEMBL4535003 0.84 DRD2 (0.46) DRD1DRD5DRD2DRD3
SCHEMBL4535006 0.84 DRD2 (0.46) DRD1DRD5DRD2DRD3
SCHEMBL4540323 0.83 HTR1A (0.46) HRH3DRD1DRD5PRMT5DRD2
SCHEMBL4540321 0.83 HTR1A (0.46) HRH3DRD1DRD5PRMT5DRD2
SCHEMBL3655159 0.82 HRH3 (0.61) HRH3ABCB1DRD1DRD5PRMT5
SCHEMBL3657039 0.81 SIGMAR1 (0.45) HRH3
SCHEMBL3654484 0.79 HRH3 (0.62) HRH3ABCB1DRD2DRD3
SCHEMBL3654524 0.79 HRH3 (0.62) HRH3ABCB1DRD2DRD3
SCHEMBL3246821 0.78 DRD1 (0.58) HRH3ABCB1DRD1DRD5PRMT5

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 HRH3 2/4885ABCB1 458/4885DRD1 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.