SCHEMBL2193115

SCHEMBL2193115

O=C1CCCc2c1ccn2CCN1CCN(c2ncccn2)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 5/20 0.47
DRD3 P35462 7/20 0.46
DRD2 P14416 4/20 0.46
DRD1 P21728 1/20 0.46
PARP1 P09874 1/20 0.45
KDM1A O60341 1/20 0.44
DRD4 P21917 2/20 0.42
ABCB11 O95342 2/20 0.42
ALDH1A1 P00352 2/20 0.42
CYP1A2 P05177 2/20 0.42
CYP2D6 P10635 2/20 0.42
ADRA2C P18825 2/20 0.42
ADRA1D P25100 2/20 0.42
HTR2A P28223 2/20 0.42
HTR7 P34969 2/20 0.42
ADRA1A P35348 2/20 0.42
ADRA1B P35368 2/20 0.42
LMNA P02545 1/20 0.42
HTT P42858 1/20 0.42
ADRA2A P08913 1/20 0.42

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
SCHEMBL1255580 0.93 HTR1A (0.54) HTR1ADRD3DRD2DRD1PARP1
SCHEMBL1255429 0.93 DRD3 (0.52) HTR1ADRD3DRD2DRD1PARP1
SCHEMBL5214854 0.91 DRD3 (0.50) HTR1ADRD3DRD2DRD1PARP1
SCHEMBL2198353 0.87 LMNA (0.42) HTR1ADRD3DRD2DRD1PARP1
SCHEMBL2196560 0.81 LMNA (0.41) HTR1ADRD3DRD2DRD1PARP1
SCHEMBL2224598 0.81 HTR1A (0.43) HTR1ADRD3DRD2DRD1PARP1
SCHEMBL2194155 0.79 DRD2 (0.49) HTR1ADRD3DRD2ALDH1A1CYP2D6
SCHEMBL2194422 0.79 HTR1A (0.47) HTR1ADRD3DRD2DRD1DRD4
SCHEMBL2195771 0.79 ADRA1D (0.42) HTR1ADRD2DRD4ADRA1DHTR2A
SCHEMBL2196865 0.79 HTR1A (0.47) HTR1ADRD3DRD2DRD1DRD4

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-20150051219-A1 TREATMENT OF ORGANOPHOSPHATE EXPOSURE WITH TETRAHYDROINDOLONE ARYLPIPERAZINE COMPOUNDS HELTON DAVID REED (US) 2015-02-19 US claimed
US-20110172242-A1 TREATMENT OF ORGANOPHOSPHATE EXPOSURE WITH TETRAHYDROINDOLONE ARYLPIPERAZINE COMPOUNDS ABRAXIS BIOSCIENCE, INC. 2011-07-14 US claimed
US-20090264443-A1 TREATMENT OF ORGANOPHOSPHATE EXPOSURE WITH TETRAHYDROINDOLONE ARYLPIPERAZINE COMPOUNDS ABRAXIS BIOSCIENCE, INC. 2009-10-22 US claimed
US-20050107439-A1 Composition and method for treating emesis HELTON DAVID R (US) 2005-05-19 US claimed
US-20050107439-A1 Composition and method for treating emesis HELTON DAVID R (US) 2005-05-19 US disclosed
US-20050107439-A1 Composition and method for treating emesis HELTON DAVID R (US) 2005-05-19 US disclosed
US-20050107439-A1 Composition and method for treating emesis HELTON DAVID R (US) 2005-05-19 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 (4 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-20110172242-A1 TREATMENT OF ORGANOPHOSPHATE EXPOSURE WITH TETRAHYDROINDOLONE ARYLPIPERAZINE COMPOUNDS DDT, CYP4X1, AHR HTR1A 440/4885DRD3 1448/4885DRD2 1585/4885
US-20150051219-A1 TREATMENT OF ORGANOPHOSPHATE EXPOSURE WITH TETRAHYDROINDOLONE ARYLPIPERAZINE COMPOUNDS DDT, CYP4X1, AHR HTR1A 440/4885DRD3 1448/4885DRD2 1585/4885
US-20050107439-A1 Composition and method for treating emesis VIP, HNMT, FABP2 HTR1A 254/4885DRD3 3181/4885DRD2 2071/4885
US-20090264443-A1 TREATMENT OF ORGANOPHOSPHATE EXPOSURE WITH TETRAHYDROINDOLONE ARYLPIPERAZINE COMPOUNDS DDT, CYP4X1, AHR HTR1A 440/4885DRD3 1448/4885DRD2 1585/4885

“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.