SCHEMBL4530500

SCHEMBL4530500

COc1ccc(F)cc1N1CCN(CCC#N)CC1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.51
DRD2 P14416 4/20 0.49
MAPK1 P28482 1/20 0.48
DRD3 P35462 2/20 0.47
DRD4 P21917 1/20 0.47
ALDH1A1 P00352 3/20 0.47
LMNA P02545 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
NLRP1 Q9C000 1/20 0.47
HTR1A P08908 3/20 0.46
ADRA1D P25100 1/20 0.46
ADRA1A P35348 1/20 0.46
ADRA1B P35368 1/20 0.46
SLC6A4 P31645 1/20 0.46
HTR7 P34969 1/20 0.46
KCNH2 Q12809 1/20 0.46
POLB P06746 1/20 0.46

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
SCHEMBL5425954 0.86 ADRA1A (0.49) MAPTDRD4ALDH1A1HTR1AADRA1D
SCHEMBL1725042 0.85 DRD2 (0.46) MAPTDRD2DRD3DRD4ALDH1A1
SCHEMBL6246397 0.84 DRD2 (0.69) DRD2DRD3HTR1AADRA1DADRA1A
SCHEMBL8828442 0.81 ALDH1A1 (0.55) MAPTDRD2DRD3DRD4ALDH1A1
SCHEMBL4533121 0.81 DRD2 (0.54) MAPTDRD2MAPK1DRD3DRD4
SCHEMBL1725203 0.80 LMNA (0.56) MAPTDRD2MAPK1ALDH1A1LMNA
SCHEMBL948083 0.76 DRD2 (0.71) DRD2DRD3ALDH1A1HTR1AADRA1D
SCHEMBL30080790 0.76 DRD2 (0.71) DRD2DRD3ALDH1A1HTR1AADRA1D
SCHEMBL6954563 0.75 HTR1A (0.71) DRD2DRD3ALDH1A1HTR1AADRA1D
SCHEMBL23102075 0.75 POLB (0.50) DRD2MAPK1DRD3ALDH1A1HTR1A

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 3 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 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 MAPT 1842/4885DRD2 182/4885MAPK1 881/4885

“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.