SCHEMBL5423722

SCHEMBL5423722

O=C1CC(CNC2CC2)C(=O)N1CCCN1CCN(c2cc(F)ccc2OCC(F)(F)F)CC1

nearest known ligand 0.53

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 20/20 0.53
ADRA1B P35368 19/20 0.53
ADRA1D P25100 16/20 0.53
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 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
Hydrochloric Acid SCHEMBL5428639 0.99 ADRA1A (0.52) ADRA1AADRA1BADRA1DCYP3A4CYP2C9
SCHEMBL5426683 0.88 HTR1A (0.41) ADRA1AADRA1BADRA1D
Hydrochloric Acid SCHEMBL5415275 0.88 HTR1A (0.40) ADRA1AADRA1BADRA1D
SCHEMBL5426540 0.86 HTR1A (0.44) ADRA1AADRA1BADRA1D
SCHEMBL5420326 0.86 ADRA1A (0.41) ADRA1AADRA1BADRA1D
Hydrochloric Acid SCHEMBL5422403 0.86 HTR1A (0.43) ADRA1AADRA1BADRA1D
Hydrochloric Acid SCHEMBL5436836 0.85 ADRA1A (0.41) ADRA1AADRA1BADRA1D
SCHEMBL5433029 0.83 HTR1A (0.46) ADRA1AADRA1BADRA1DCYP3A4CYP2C9
Hydrochloric Acid SCHEMBL5427772 0.83 HTR1A (0.46) ADRA1AADRA1BADRA1DCYP3A4CYP2C9
SCHEMBL5418413 0.80 HTR1A (0.46) ADRA1AADRA1BADRA1DCYP3A4CYP2C9

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 ADRA1A 2/4885ADRA1B 4/4885ADRA1D 1/4885

“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.