SCHEMBL4530003

SCHEMBL4530003

CC(C)Oc1ccccc1N1CCN(CC(=O)CN2C(=O)C3CC=CCC3C2=O)CC1

nearest known ligand 0.57

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 9/20 0.57
ADRA1B P35368 8/20 0.57
ADRA1D P25100 7/20 0.57
RAB9A P51151 2/20 0.48
NPC1 O15118 1/20 0.48
HTR1A P08908 1/20 0.48

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 SCHEMBL4534626 0.99 ADRA1A (0.56) ADRA1AADRA1BADRA1DRAB9ANPC1
SCHEMBL4526930 0.90 ADRA1A (0.60) ADRA1AADRA1BADRA1DRAB9AHTR1A
Hydrochloric Acid SCHEMBL4526545 0.89 ADRA1A (0.59) ADRA1AADRA1BADRA1DRAB9AHTR1A
SCHEMBL4532411 0.89 RAB9A (0.60) ADRA1AADRA1BADRA1DRAB9ANPC1
SCHEMBL4530273 0.88 ADRA1D (0.50) ADRA1AADRA1BADRA1DRAB9ANPC1
Hydrochloric Acid SCHEMBL4523999 0.88 RAB9A (0.59) ADRA1AADRA1BADRA1DRAB9ANPC1
Hydrochloric Acid SCHEMBL4537927 0.88 ADRA1D (0.49) ADRA1AADRA1BADRA1DRAB9ANPC1
SCHEMBL4531932 0.85 ADRA1A (0.61) ADRA1AADRA1BADRA1DHTR1A
SCHEMBL4537964 0.85 RAB9A (0.48) RAB9ANPC1
SCHEMBL5329403 0.85 ADRA1A (0.65) ADRA1AADRA1BADRA1DHTR1A

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 ADRA1A 3/4885ADRA1B 6/4885ADRA1D 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.