SCHEMBL1254473

SCHEMBL1254473

O=C1CCCc2c1ccn2CCCN1CCN(c2cccc(C(F)(F)F)c2)CC1

nearest known ligand 0.63

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 5/20 0.63
DRD3 P35462 5/20 0.58
DRD1 P21728 2/20 0.58
HTR1A P08908 2/20 0.54
HTR2A P28223 2/20 0.54
DRD2 P14416 3/20 0.53
DRD5 P21918 3/20 0.53
SIGMAR1 Q99720 1/20 0.53
ADRA1D P25100 1/20 0.52
ADRA1A P35348 1/20 0.52
ADRA1B P35368 1/20 0.52

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
SCHEMBL1254641 0.98 HTR7 (0.66) HTR7DRD3DRD1HTR1AHTR2A
SCHEMBL1254429 0.94 HTR7 (0.60) HTR7DRD3DRD1HTR1ADRD2
SCHEMBL2195868 0.89 HTR7 (0.47) HTR7DRD3DRD1HTR1AHTR2A
SCHEMBL1254385 0.87 KCNH2 (0.57) HTR7DRD3DRD1HTR1AHTR2A
SCHEMBL2191733 0.87 HTR7 (0.50) HTR7DRD3DRD1HTR1AHTR2A
SCHEMBL4050945 0.86 HTR7 (0.48) HTR7DRD3DRD1HTR1AHTR2A
SCHEMBL1255686 0.85 KCNH2 (0.60) HTR7DRD3HTR1AHTR2ADRD2
SCHEMBL2191705 0.84 HTR7 (0.44) HTR7DRD3DRD1HTR1AHTR2A
SCHEMBL2194425 0.83 HTR7 (0.43) HTR7DRD3DRD1HTR1AHTR2A
SCHEMBL2194603 0.82 DRD2 (0.46) HTR7DRD3DRD1HTR1ADRD2

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 41 patents — showing the first 20. 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
EP-2285373-A2 TREATMENT OF ORGANOPHOSPHATE EXPOSURE WITH TETRAHYDROINDOLONE ARYLPIPERAZINE COMPOUNDS Cenomed Biosciences, LLC (US) 2011-02-23 EP claimed
EP-2219648-A1 TREATMENT OF POST-TRAUMATIC STRESS DISORDER WITH TETRAHYDROINDOLONE ARYLPIPERAZINE COMPOUNDS Cenomed Biosciences, LLC (US) 2010-08-25 EP claimed
WO-2010036395-A2 TREATMENT OF ORGANOPHOSPHATE EXPOSURE WITH TETRAHYDROINDOLONE ARYLPIPERAZINE COMPOUNDS CENOMED BIOSCIENCES, LLC (US) 2010-04-01 WO claimed
US-20090264443-A1 TREATMENT OF ORGANOPHOSPHATE EXPOSURE WITH TETRAHYDROINDOLONE ARYLPIPERAZINE COMPOUNDS ABRAXIS BIOSCIENCE, INC. 2009-10-22 US claimed
US-20090156609-A1 TREATMENT OF POST-TRAUMATIC STRESS DISORDER WITH TETRAHYDROINDOLONE ARYLPIPERZAINE COMPOUNDS ABRAXIS BIOSCIENCE, INC. 2009-06-18 US claimed
WO-2009062134-A1 TREATMENT OF POST-TRAUMATIC STRESS DISORDER WITH TETRAHYDROINDOLONE ARYLPIPERAZINE COMPOUNDS CENOMED BIOSCIENCES, LLC (US) 2009-05-14 WO claimed
US-20050107439-A1 Composition and method for treating emesis HELTON DAVID R (US) 2005-05-19 US claimed
US-20150051219-A1 TREATMENT OF ORGANOPHOSPHATE EXPOSURE WITH TETRAHYDROINDOLONE ARYLPIPERAZINE COMPOUNDS HELTON DAVID REED (US) 2015-02-19 US disclosed
US-20150051219-A1 TREATMENT OF ORGANOPHOSPHATE EXPOSURE WITH TETRAHYDROINDOLONE ARYLPIPERAZINE COMPOUNDS HELTON DAVID REED (US) 2015-02-19 US disclosed
US-20150051219-A1 TREATMENT OF ORGANOPHOSPHATE EXPOSURE WITH TETRAHYDROINDOLONE ARYLPIPERAZINE COMPOUNDS HELTON DAVID REED (US) 2015-02-19 US disclosed
US-20110172242-A1 TREATMENT OF ORGANOPHOSPHATE EXPOSURE WITH TETRAHYDROINDOLONE ARYLPIPERAZINE COMPOUNDS ABRAXIS BIOSCIENCE, INC. 2011-07-14 US disclosed
US-20110172242-A1 TREATMENT OF ORGANOPHOSPHATE EXPOSURE WITH TETRAHYDROINDOLONE ARYLPIPERAZINE COMPOUNDS ABRAXIS BIOSCIENCE, INC. 2011-07-14 US disclosed
US-20050107439-A1 Composition and method for treating emesis HELTON DAVID R (US) 2005-05-19 US disclosed
US-6770638-B2 PSYCHOLOGICAL DISORDERS; CENTRAL NERVOUS SYSTEM DISORDERS SPECTRUM PHARMACEUTICALS, INC. 2004-08-03 US disclosed
EP-1412028-A1 TETRAHYDROINDOLONE AND PURINE DERIVATIVES LINKED TO ARYLPIPERAZINES Neotherapeutics, Inc. (US) 2004-04-28 EP disclosed
US-20030114463-A1 Tetrahydroindolone and purine derivatives linked to arylpiperazines SPECTRUM PHARMACEUTICALS, INC. 2003-06-19 US disclosed
WO-2003011396-A1 TETRAHYDROINDOLONE AND PURINE DERIVATIVES LINKED TO ARYLPIPERAZINES NEOTHERAPEUTICS, INC. (US) 2003-02-13 WO disclosed
WO-2003011396-A1 TETRAHYDROINDOLONE AND PURINE DERIVATIVES LINKED TO ARYLPIPERAZINES NEOTHERAPEUTICS, INC. (US) 2003-02-13 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 (6 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-20090156609-A1 TREATMENT OF POST-TRAUMATIC STRESS DISORDER WITH TETRAHYDROINDOLONE ARYLPIPERZAINE COMPOUNDS HTR5A, HTR2C, HTR3B HTR7 20/4885DRD3 34/4885DRD1 33/4885
US-20110172242-A1 TREATMENT OF ORGANOPHOSPHATE EXPOSURE WITH TETRAHYDROINDOLONE ARYLPIPERAZINE COMPOUNDS DDT, CYP4X1, AHR HTR7 199/4885DRD3 1448/4885DRD1 2483/4885
US-20150051219-A1 TREATMENT OF ORGANOPHOSPHATE EXPOSURE WITH TETRAHYDROINDOLONE ARYLPIPERAZINE COMPOUNDS DDT, CYP4X1, AHR HTR7 199/4885DRD3 1448/4885DRD1 2483/4885
US-20030114463-A1 Tetrahydroindolone and purine derivatives linked to arylpiperazines HTR5A, GABRA5, HTR2C HTR7 7/4885DRD3 65/4885DRD1 54/4885
US-20050107439-A1 Composition and method for treating emesis VIP, HNMT, FABP2 HTR7 119/4885DRD3 3181/4885DRD1 3723/4885
US-20090264443-A1 TREATMENT OF ORGANOPHOSPHATE EXPOSURE WITH TETRAHYDROINDOLONE ARYLPIPERAZINE COMPOUNDS DDT, CYP4X1, AHR HTR7 199/4885DRD3 1448/4885DRD1 2483/4885

“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.