SCHEMBL4533121

SCHEMBL4533121

COc1ccc(F)cc1N1CCN(CCCN)CC1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 5/20 0.54
DRD3 P35462 3/20 0.54
LMNA P02545 2/20 0.54
ALDH1A1 P00352 2/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
MAPT P10636 1/20 0.54
NLRP1 Q9C000 1/20 0.54
HTR1A P08908 4/20 0.53
HSD17B10 Q99714 1/20 0.52
POLB P06746 1/20 0.52
HTR7 P34969 2/20 0.52
SLC6A4 P31645 1/20 0.52
KCNH2 Q12809 1/20 0.52
DRD4 P21917 2/20 0.51
ADRA1A P35348 2/20 0.49
HTR2A P28223 1/20 0.49
MAPK1 P28482 1/20 0.49
ADRA1D P25100 1/20 0.48
ADRA1B P35368 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
SCHEMBL8828414 0.90 HTR1A (0.54) DRD2DRD3LMNAALDH1A1SMN1; SMN2
SCHEMBL8828442 0.87 ALDH1A1 (0.55) DRD2DRD3LMNAALDH1A1SMN1; SMN2
SCHEMBL4522998 0.86 ADRA1D (0.50) HSD17B10DRD4ADRA1AADRA1DADRA1B
SCHEMBL8290816 0.84 ADRA1D (0.59) DRD2DRD3LMNAALDH1A1HTR1A
SCHEMBL2215388 0.83 DRD2 (0.76) DRD2DRD3ALDH1A1HTR1AHSD17B10
SCHEMBL29395171 0.83 DRD2 (0.76) DRD2DRD3ALDH1A1HTR1AHSD17B10
Hydrochloric Acid SCHEMBL6935545 0.83 ADRA1D (0.58) DRD2DRD3LMNAALDH1A1HTR1A
Hydrochloric Acid SCHEMBL29072812 0.82 DRD2 (0.74) DRD2DRD3LMNAALDH1A1SMN1; SMN2
Hydrochloric Acid SCHEMBL11047866 0.82 DRD2 (0.74) DRD2DRD3LMNAALDH1A1SMN1; SMN2
SCHEMBL5592258 0.81 HTR7 (0.73) DRD2DRD3LMNAALDH1A1MAPT

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 7 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
US-5688795-A URINARY TRACTS OBSTRUCTION SYNTEX (U.S.A.) INC. (US) 1997-11-18 US disclosed
CN-1136039-A [3- (4-phenylpiperazin-1-yl) propylamino, thio and oxy ] -pyridine, pyrimidine and benzene derivatives HOFFMANN LA ROCHE (CH) 1996-11-20 CN disclosed
EP-0711757-A1 3-(4-phenylpiperazin-1-yl)propyl-amino, thio and oxy -pyridine, pyrimidine and benzene derivatives as alpha1-adrenoceptor antagonists F. Hoffmann-La Roche AG (CH) 1996-05-15 EP disclosed
US-4585773-A DIURETIC, HYPOTENSIVE BRISTOL-MYERS COMPANY (US) 1986-04-29 US 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 DRD2 182/4885DRD3 357/4885LMNA 2733/4885

“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.