SCHEMBL1254429

SCHEMBL1254429

O=C1CCCc2c1ccn2CCN1CCN(c2cccc(C(F)(F)F)c2)CC1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 5/20 0.60
HTR1A P08908 3/20 0.54
DRD3 P35462 5/20 0.52
DRD1 P21728 3/20 0.52
SIGMAR1 Q99720 2/20 0.52
DRD2 P14416 2/20 0.51
ABCB11 O95342 1/20 0.51
ADRA2A P08913 1/20 0.51
ADORA3 P0DMS8 1/20 0.51
CHRM1 P11229 1/20 0.51
TBXA2R P21731 1/20 0.51
SLC6A4 P31645 1/20 0.51
ADRA1A P35348 1/20 0.51
OPRM1 P35372 1/20 0.51
KCNH2 Q12809 1/20 0.51
DRD5 P21918 1/20 0.50
ALDH1A1 P00352 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49

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 0.94 HTR7 (0.66) HTR7HTR1ADRD3DRD1SIGMAR1
SCHEMBL1254473 0.94 HTR7 (0.63) HTR7HTR1ADRD3DRD1SIGMAR1
SCHEMBL2196037 0.88 HTR7 (0.45) HTR7HTR1ADRD3DRD1DRD2
SCHEMBL1253420 0.86 DRD2 (0.54) HTR7HTR1ADRD3SIGMAR1DRD2
SCHEMBL29462333 0.86 DRD2 (0.54) HTR7HTR1ADRD3SIGMAR1DRD2
SCHEMBL12418239 0.85 KCNH2 (0.52) HTR7HTR1ADRD3DRD2KCNH2
SCHEMBL2847054 0.84 HTR7 (0.41) HTR7HTR1ADRD3DRD1SIGMAR1
SCHEMBL4050945 0.84 HTR7 (0.48) HTR7HTR1ADRD3DRD1DRD2
SCHEMBL2196245 0.83 MAPT (0.48) HTR7DRD3DRD1ALDH1A1MAPT
SCHEMBL2196652 0.83 LMNA (0.41) HTR7HTR1ADRD3DRD1CYP1A2

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 38 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
EP-2285373-A2 TREATMENT OF ORGANOPHOSPHATE EXPOSURE WITH TETRAHYDROINDOLONE ARYLPIPERAZINE COMPOUNDS Cenomed Biosciences, LLC (US) 2011-02-23 EP 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 20/4885HTR1A 8/4885DRD3 34/4885
US-20110172242-A1 TREATMENT OF ORGANOPHOSPHATE EXPOSURE WITH TETRAHYDROINDOLONE ARYLPIPERAZINE COMPOUNDS DDT, CYP4X1, AHR HTR7 199/4885HTR1A 440/4885DRD3 1448/4885
US-20150051219-A1 TREATMENT OF ORGANOPHOSPHATE EXPOSURE WITH TETRAHYDROINDOLONE ARYLPIPERAZINE COMPOUNDS DDT, CYP4X1, AHR HTR7 199/4885HTR1A 440/4885DRD3 1448/4885
US-20030114463-A1 Tetrahydroindolone and purine derivatives linked to arylpiperazines HTR5A, GABRA5, HTR2C HTR7 7/4885HTR1A 12/4885DRD3 65/4885
US-20050107439-A1 Composition and method for treating emesis VIP, HNMT, FABP2 HTR7 119/4885HTR1A 254/4885DRD3 3181/4885
US-20090264443-A1 TREATMENT OF ORGANOPHOSPHATE EXPOSURE WITH TETRAHYDROINDOLONE ARYLPIPERAZINE COMPOUNDS DDT, CYP4X1, AHR HTR7 199/4885HTR1A 440/4885DRD3 1448/4885

“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.