SCHEMBL4540323

SCHEMBL4540323

CC1CCCN1CCN1CCc2cc(O)ccc2C1

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.46
CA9 Q16790 1/20 0.46
DRD1 P21728 3/20 0.44
DRD2 P14416 2/20 0.44
DRD5 P21918 2/20 0.44
DRD3 P35462 1/20 0.44
HRH3 Q9Y5N1 2/20 0.43
ESR1 P03372 1/20 0.42
ESR2 Q92731 1/20 0.42
SIGMAR1 Q99720 1/20 0.42
PRMT5 O14744 1/20 0.41

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
SCHEMBL4540321 1.00 HTR1A (0.46) HTR1ACA9DRD1DRD2DRD5
SCHEMBL4534017 0.83 HRH3 (0.53) DRD1DRD2DRD5DRD3HRH3
SCHEMBL3657039 0.83 SIGMAR1 (0.45) HTR1AHRH3SIGMAR1
SCHEMBL4534013 0.83 HRH3 (0.53) DRD1DRD2DRD5DRD3HRH3
SCHEMBL3654484 0.81 HRH3 (0.62) HTR1ADRD2DRD3HRH3
SCHEMBL3654524 0.81 HRH3 (0.62) HTR1ADRD2DRD3HRH3
SCHEMBL3648509 0.80 SIGMAR1 (0.64) CA9DRD1DRD2DRD5DRD3
SCHEMBL4535003 0.77 DRD2 (0.46) DRD1DRD2DRD5DRD3
SCHEMBL4535006 0.77 DRD2 (0.46) DRD1DRD2DRD5DRD3
SCHEMBL3653389 0.77 HRH3 (0.43) HTR1ADRD3HRH3SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101848896-A Isoquinolinyl and isoindolinyl derivatives as histamine-3 antagonists WYETH CORP 2010-09-29 CN disclosed
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 HTR1A 52/4885CA9 4521/4885DRD1 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.