SCHEMBL5418501

SCHEMBL5418501

CC(C)Oc1ccc(F)cc1N1CCN(CCCN2C(=O)C(C)C(C)C2=O)CC1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 2/20 0.46
ADRA1A P35348 10/20 0.44
ADRA1B P35368 9/20 0.44
ADRA1D P25100 7/20 0.44
HTR1A P08908 2/20 0.44
DRD4 P21917 2/20 0.43
DRD2 P14416 4/20 0.42
DRD3 P35462 1/20 0.42
HTR2A P28223 1/20 0.42
HTR6 P50406 1/20 0.42

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
Hydrochloric Acid SCHEMBL5416535 0.99 HTR7 (0.45) HTR7ADRA1AADRA1BADRA1DHTR1A
SCHEMBL5416585 0.92 ADRA1A (0.42) HTR7ADRA1AADRA1BADRA1DHTR1A
SCHEMBL5424838 0.91 HTR7 (0.42) HTR7ADRA1AADRA1BADRA1DHTR1A
Hydrochloric Acid SCHEMBL5423794 0.91 ADRA1A (0.41) HTR7ADRA1AADRA1BADRA1DHTR1A
SCHEMBL5428352 0.91 ADRA1A (0.42) HTR7ADRA1AADRA1BADRA1DHTR1A
Hydrochloric Acid SCHEMBL5424328 0.90 HTR7 (0.41) HTR7ADRA1AADRA1BADRA1DHTR1A
Hydrochloric Acid SCHEMBL5426783 0.90 ADRA1A (0.42) HTR7ADRA1AADRA1BADRA1DHTR1A
SCHEMBL5423890 0.89 ADRA1A (0.41) HTR7ADRA1AADRA1BADRA1DHTR1A
SCHEMBL5427895 0.89 HTR1A (0.46) HTR7ADRA1AADRA1BADRA1DHTR1A
SCHEMBL5426005 0.89 ADRA1A (0.44) ADRA1AADRA1BADRA1DHTR1ADRD4

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
US-20070219216-A1 1-Alkylpiperazinyl-Pyrrolidin-2,5-Dione Derivatives as Adrenergic Receptor Antagonists RANBAXY LABORATORIES LIMITED (IN) 2007-09-20 US claimed
US-20070219216-A1 1-Alkylpiperazinyl-Pyrrolidin-2,5-Dione Derivatives as Adrenergic Receptor Antagonists RANBAXY LABORATORIES LIMITED (IN) 2007-09-20 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-20070219216-A1 1-Alkylpiperazinyl-Pyrrolidin-2,5-Dione Derivatives as Adrenergic Receptor Antagonists ADRA1D, ADRA1A, ADRB1 HTR7 382/4885ADRA1A 2/4885ADRA1B 4/4885

“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.