SCHEMBL5414524

SCHEMBL5414524

COc1ccc(F)cc1N1CCN(CCCN2C(=O)CC(C)C2=O)CC1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ADRA1D P25100 8/20 0.55
ADRA1A P35348 8/20 0.55
ADRA1B P35368 8/20 0.55
HTR1A P08908 7/20 0.55
MEN1 O00255 1/20 0.53
CYP1A2 P05177 1/20 0.53
CYP2C9 P11712 1/20 0.53
CYP2C19 P33261 1/20 0.53
HTR7 P34969 1/20 0.53
KMT2A Q03164 1/20 0.53
DRD2 P14416 1/20 0.52
DRD3 P35462 1/20 0.52

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 SCHEMBL5419494 0.99 ADRA1D (0.54) ADRA1DADRA1AADRA1BHTR1AMEN1
SCHEMBL5426005 0.89 ADRA1A (0.44) ADRA1DADRA1AADRA1BHTR1A
SCHEMBL5419516 0.88 DRD2 (0.55) ADRA1DADRA1AADRA1BHTR1AMEN1
Hydrochloric Acid SCHEMBL5420251 0.88 ADRA1B (0.43) ADRA1DADRA1AADRA1BHTR1A
SCHEMBL5422390 0.88 DRD2 (0.45) ADRA1DADRA1AADRA1BHTR1ADRD2
Hydrochloric Acid SCHEMBL5426632 0.87 DRD2 (0.54) ADRA1DADRA1AADRA1BHTR1AMEN1
SCHEMBL5420250 0.87 HTR1A (0.49) ADRA1DADRA1AADRA1BHTR1AHTR7
Hydrochloric Acid SCHEMBL5415288 0.87 DRD2 (0.44) ADRA1DADRA1AADRA1BHTR1AHTR7
SCHEMBL6246981 0.87 ADRA1D (0.71) ADRA1DADRA1AADRA1BHTR1AMEN1
Hydrochloric Acid SCHEMBL5428801 0.86 HTR1A (0.48) ADRA1DADRA1AADRA1BHTR1AHTR7

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 ADRA1D 1/4885ADRA1A 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.