SCHEMBL2194339

SCHEMBL2194339

Cc1ccc(N2CCN(CCn3ccc4c3CCCC4=O)CC2)cc1C

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 9/20 0.45
DRD2 P14416 9/20 0.44
DRD3 P35462 5/20 0.44
GAA P10253 2/20 0.39
RAD52 P43351 1/20 0.39
MAPT P10636 2/20 0.39
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
PABPC1 P11940 1/20 0.38
TSHR P16473 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HTR1A P08908 3/20 0.37
ADRB1 P08588 1/20 0.37
ADRA2C P18825 1/20 0.36
HTR2A P28223 1/20 0.36
HTR7 P34969 1/20 0.36

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
SCHEMBL2194217 0.94 DRD4 (0.44) DRD4DRD2DRD3MEN1ALDH1A1
SCHEMBL2194974 0.94 DRD4 (0.44) DRD4DRD2DRD3HTR7
SCHEMBL4052448 0.89 DRD2 (0.41) DRD4DRD2DRD3HTR1AHTR7
SCHEMBL2193252 0.87 ALDH1A1 (0.45) DRD4DRD2DRD3MAPTMEN1
SCHEMBL12418239 0.86 KCNH2 (0.52) DRD4DRD2DRD3MAPTALDH1A1
SCHEMBL2195195 0.84 DRD2 (0.50) DRD4DRD2DRD3HTR1AHTR2A
SCHEMBL1253364 0.84 HTR1A (0.50) DRD4DRD2DRD3HTR1AHTR2A
SCHEMBL2855011 0.84 HTR7 (0.43) DRD4DRD2MAPTALDH1A1HTR2A
SCHEMBL2196566 0.83 SIGMAR1 (0.47) DRD4DRD3HTR1AHTR2AHTR7
SCHEMBL2195771 0.83 ADRA1D (0.42) DRD4DRD2HTR1AHTR2AHTR7

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 11 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 disclosed
US-8598180-B2 Tetrahydroindolone derivatives for treatment of neurological conditions ABRAXIS BIOSCIENCE, INC. (US) 2013-12-03 US disclosed
EP-1715921-B1 Tetrahydroindolone derivatives for treatment of neurological conditions ABRAXIS BIOSCIENCE INC (US) 2013-04-24 EP disclosed
US-20110172242-A1 TREATMENT OF ORGANOPHOSPHATE EXPOSURE WITH TETRAHYDROINDOLONE ARYLPIPERAZINE COMPOUNDS ABRAXIS BIOSCIENCE, INC. 2011-07-14 US disclosed
US-20100305141-A1 TETRAHYDROINDOLONE DERIVATIVES FOR TREATMENT OF NEUROLOGICAL CONDITIONS ABRAXIS BIOSCIENCE, INC. 2010-12-02 US disclosed
US-7795266-B2 Tetrahydroindolone derivatives for treament of neurological conditions ABRAXIS BIOSCIENCE, INC. 2010-09-14 US disclosed
EP-2219648-A1 TREATMENT OF POST-TRAUMATIC STRESS DISORDER WITH TETRAHYDROINDOLONE ARYLPIPERAZINE COMPOUNDS Cenomed Biosciences, LLC (US) 2010-08-25 EP disclosed
US-20090264443-A1 TREATMENT OF ORGANOPHOSPHATE EXPOSURE WITH TETRAHYDROINDOLONE ARYLPIPERAZINE COMPOUNDS ABRAXIS BIOSCIENCE, INC. 2009-10-22 US disclosed
US-20090156609-A1 TREATMENT OF POST-TRAUMATIC STRESS DISORDER WITH TETRAHYDROINDOLONE ARYLPIPERZAINE COMPOUNDS ABRAXIS BIOSCIENCE, INC. 2009-06-18 US disclosed
WO-2009062134-A1 TREATMENT OF POST-TRAUMATIC STRESS DISORDER WITH TETRAHYDROINDOLONE ARYLPIPERAZINE COMPOUNDS CENOMED BIOSCIENCES, LLC (US) 2009-05-14 WO disclosed
US-20070208030-A1 Tetrahydroindolone Derivatives for Treament of Neurological Conditions ABRAXIS BIOSCIENCE, INC. (US) 2007-09-06 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 (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-20070208030-A1 Tetrahydroindolone Derivatives for Treament of Neurological Conditions TPH2, TPH1, GRIK5 DRD4 681/4885DRD2 646/4885DRD3 599/4885
US-20090156609-A1 TREATMENT OF POST-TRAUMATIC STRESS DISORDER WITH TETRAHYDROINDOLONE ARYLPIPERZAINE COMPOUNDS HTR5A, HTR2C, HTR3B DRD4 39/4885DRD2 21/4885DRD3 34/4885
US-20110172242-A1 TREATMENT OF ORGANOPHOSPHATE EXPOSURE WITH TETRAHYDROINDOLONE ARYLPIPERAZINE COMPOUNDS DDT, CYP4X1, AHR DRD4 1442/4885DRD2 1585/4885DRD3 1448/4885
US-20150051219-A1 TREATMENT OF ORGANOPHOSPHATE EXPOSURE WITH TETRAHYDROINDOLONE ARYLPIPERAZINE COMPOUNDS DDT, CYP4X1, AHR DRD4 1442/4885DRD2 1585/4885DRD3 1448/4885
US-20100305141-A1 TETRAHYDROINDOLONE DERIVATIVES FOR TREATMENT OF NEUROLOGICAL CONDITIONS NLN, CYP11B2, GRIN2C DRD4 616/4885DRD2 464/4885DRD3 577/4885
US-20090264443-A1 TREATMENT OF ORGANOPHOSPHATE EXPOSURE WITH TETRAHYDROINDOLONE ARYLPIPERAZINE COMPOUNDS DDT, CYP4X1, AHR DRD4 1442/4885DRD2 1585/4885DRD3 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.