SCHEMBL5416601

SCHEMBL5416601

CC1=C(C)C(=O)N(CCCN2CCN(c3ccccc3OCC(F)(F)F)CC2)C1=O

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 11/20 0.69
ADRA1B P35368 11/20 0.69
ADRA1D P25100 10/20 0.69
CYP3A4 P08684 2/20 0.65
CYP2C9 P11712 2/20 0.65
CYP2C19 P33261 2/20 0.65
DRD2 P14416 5/20 0.59
DRD3 P35462 4/20 0.59
HTR1A P08908 3/20 0.56
HTR7 P34969 3/20 0.56
ALDH1A1 P00352 2/20 0.56
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
CYP2D6 P10635 1/20 0.56
ALOX12 P18054 1/20 0.56
HIF1A Q16665 1/20 0.56
HSD17B10 Q99714 1/20 0.56
KDM4E B2RXH2 1/20 0.55
GLA P06280 1/20 0.55
HPGD P15428 1/20 0.55

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 SCHEMBL5430150 0.99 ADRA1A (0.68) ADRA1AADRA1BADRA1DCYP3A4CYP2C9
SCHEMBL6770339 0.90 DRD2 (0.70) ADRA1AADRA1BADRA1DCYP3A4CYP2C9
SCHEMBL5424177 0.86 ADRA1A (0.62) ADRA1AADRA1BADRA1DCYP3A4CYP2C9
Hydrochloric Acid SCHEMBL5428298 0.85 ADRA1A (0.61) ADRA1AADRA1BADRA1DCYP3A4CYP2C9
SCHEMBL5157991 0.85 ADRA1A (0.62) ADRA1AADRA1BADRA1DCYP3A4CYP2C9
SCHEMBL4528094 0.84 ADRA1A (0.57) ADRA1AADRA1BADRA1DCYP3A4CYP2C9
Hydrochloric Acid SCHEMBL6406164 0.83 ADRA1A (0.57) ADRA1AADRA1BADRA1DCYP3A4CYP2C9
SCHEMBL6212178 0.83 ADRA1A (0.56) ADRA1AADRA1BADRA1DCYP3A4CYP2C9
SCHEMBL6073066 0.82 ADRA1A (0.58) ADRA1AADRA1BADRA1DCYP3A4CYP2C9
SCHEMBL6772918 0.81 ADRA1A (0.69) ADRA1AADRA1BADRA1DCYP3A4DRD2

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 4 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
EP-1682145-A1 1-ALKYLPIPERAZINYL-PYRROLIDIN-2,5-DIONE DERIVATIVES AS ADRENERGIC RECEPTOR ANTAGONISTS Ranbaxy Laboratories Limited (IN) 2006-07-26 EP disclosed
WO-2005037282-A1 1-ALKYLPIPERAZINYL-PYRROLIDIN-2,5-DIONE DERIVATIVES AS ADRENERGIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2005-04-28 WO 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.