SCHEMBL4535917

SCHEMBL4535917

CC(C)Oc1ccc(F)cc1N1CCN(CC(=O)CN2C(=O)C3CC(O)C(O)CC3C2=O)CC1

nearest known ligand 0.45

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ADRA1D P25100 12/20 0.45
ADRA1A P35348 12/20 0.45
ADRA1B P35368 8/20 0.45
DRD2 P14416 2/20 0.39

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 SCHEMBL4535527 0.99 ADRA1D (0.44) ADRA1DADRA1AADRA1BDRD2
Phosphoric Acid SCHEMBL5330883 0.96 ADRA1D (0.43) ADRA1DADRA1AADRA1BDRD2
Succinic Acid SCHEMBL5328590 0.96 ADRA1D (0.42) ADRA1DADRA1AADRA1B
Maleic Acid SCHEMBL5325181 0.95 ADRA1D (0.42) ADRA1DADRA1AADRA1BDRD2
Cadaverine Tartrate SCHEMBL5327784 0.95 ADRA1D (0.42) ADRA1DADRA1AADRA1BDRD2
Fumaric Acid SCHEMBL5325185 0.95 ADRA1D (0.42) ADRA1DADRA1AADRA1BDRD2
SCHEMBL5330901 0.91 ADRA1A (0.41) ADRA1DADRA1AADRA1BDRD2
SCHEMBL14541002 0.86 DRD2 (0.48) ADRA1DADRA1AADRA1BDRD2
SCHEMBL4519413 0.86 DRD2 (0.48) ADRA1DADRA1AADRA1BDRD2
SCHEMBL4535333 0.85 MEN1 (0.40) DRD2

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-20090312344-A1 ARYLPIPERAZINE DERIVATIVES AS ADRENERGIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2009-12-17 US claimed
US-20090312344-A1 ARYLPIPERAZINE DERIVATIVES AS ADRENERGIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2009-12-17 US disclosed
EP-1758583-A2 ARYLPIPERAZINE DERIVATIVES USEFUL AS ADRENERGIC RECEPTOR ANTAGONISTS Ranbaxy Laboratories Limited (IN) 2007-03-07 EP disclosed
WO-2005118537-A2 ARYLPIPERAZINE DERIVATIVES AS ADRENERGIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2005-12-15 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-20090312344-A1 ARYLPIPERAZINE DERIVATIVES AS ADRENERGIC RECEPTOR ANTAGONISTS ADRA1D, ADRB1, ADRA1A ADRA1D 1/4885ADRA1A 3/4885ADRA1B 6/4885

“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.