SCHEMBL4530273

SCHEMBL4530273

CC(C)Oc1cc(F)ccc1N1CCN(CC(=O)CN2C(=O)C3CC=CCC3C2=O)CC1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ADRA1D P25100 10/20 0.50
ADRA1A P35348 10/20 0.50
ADRA1B P35368 6/20 0.50
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
DRD2 P14416 2/20 0.41
TSHR P16473 3/20 0.39
HSD17B10 Q99714 1/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 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 SCHEMBL4537927 0.99 ADRA1D (0.49) ADRA1DADRA1AADRA1BNPC1RAB9A
SCHEMBL4530003 0.88 ADRA1A (0.57) ADRA1DADRA1AADRA1BNPC1RAB9A
Hydrochloric Acid SCHEMBL4534626 0.87 ADRA1A (0.56) ADRA1DADRA1AADRA1BNPC1RAB9A
SCHEMBL5421922 0.85 ADRA1A (0.49) ADRA1DADRA1AADRA1BDRD2
Hydrochloric Acid SCHEMBL5428438 0.84 ADRA1A (0.49) ADRA1DADRA1AADRA1BDRD2
SCHEMBL4535917 0.83 ADRA1D (0.45) ADRA1DADRA1AADRA1BDRD2
Hydrochloric Acid SCHEMBL4535527 0.82 ADRA1D (0.44) ADRA1DADRA1AADRA1BDRD2
Phosphoric Acid SCHEMBL5330883 0.80 ADRA1D (0.43) ADRA1DADRA1AADRA1BDRD2
Succinic Acid SCHEMBL5328590 0.79 ADRA1D (0.42) ADRA1DADRA1AADRA1B
SCHEMBL4532411 0.79 RAB9A (0.60) ADRA1DADRA1AADRA1BNPC1RAB9A

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 6 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
EP-1758583-A2 ARYLPIPERAZINE DERIVATIVES USEFUL AS ADRENERGIC RECEPTOR ANTAGONISTS Ranbaxy Laboratories Limited (IN) 2007-03-07 EP claimed
WO-2005118537-A2 ARYLPIPERAZINE DERIVATIVES AS ADRENERGIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2005-12-15 WO 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.