SCHEMBL4526501

SCHEMBL4526501

O=C1C2CC=CCC2C(=O)N1C[C@@H](O)CN1CCN(c2ccccc2OCC(F)(F)F)CC1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 6/20 0.47
HTR7 P34969 6/20 0.47
DRD2 P14416 5/20 0.47
CACNA1G O43497 1/20 0.47
KCNH2 Q12809 1/20 0.47
ADRA1B P35368 6/20 0.47
ADRA1A P35348 5/20 0.47
HTR6 P50406 2/20 0.45
ADRA1D P25100 4/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44

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 SCHEMBL4531915 0.99 HTR1A (0.48) HTR1AHTR7DRD2CACNA1GKCNH2
SCHEMBL4526563 0.93 HTR1A (0.46) HTR1AHTR7DRD2CACNA1GKCNH2
Hydrochloric Acid SCHEMBL4514908 0.92 HTR1A (0.47) HTR1AHTR7DRD2CACNA1GKCNH2
Hydrochloric Acid SCHEMBL6210504 0.86 HTR1A (0.61) HTR1AHTR7DRD2ADRA1B
SCHEMBL6213851 0.85 HTR1A (0.64) HTR1AHTR7DRD2ADRA1BHTR6
SCHEMBL6209669 0.85 ADRA1A (0.52) HTR1AHTR7DRD2ADRA1BADRA1A
Hydrochloric Acid SCHEMBL6409558 0.84 ADRA1A (0.52) HTR1AHTR7DRD2ADRA1BADRA1A
Hydrochloric Acid SCHEMBL6408516 0.84 HTR1A (0.63) HTR1AHTR7DRD2HTR6
SCHEMBL4523636 0.83 ADRA1A (0.47) HTR7ADRA1BADRA1AADRA1DCYP3A4
SCHEMBL4522191 0.83 ADRA1A (0.54) HTR1AHTR7DRD2ADRA1BADRA1A

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 HTR1A 16/4885HTR7 125/4885DRD2 182/4885

“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.