SCHEMBL2196245

SCHEMBL2196245

CC(Cn1ccc2c1CCCC2=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
HTR7 P34969 4/20 0.46
ALDH1A1 P00352 2/20 0.42
CCR4 P51679 1/20 0.41
DRD1 P21728 1/20 0.41
DRD3 P35462 1/20 0.41
POLB P06746 1/20 0.40
LMNA P02545 1/20 0.40
HTT P42858 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40

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
SCHEMBL1254429 0.83 HTR7 (0.60) MAPTSMN1; SMN2HTR7ALDH1A1DRD1
SCHEMBL1254641 0.82 HTR7 (0.66) HTR7DRD1DRD3
SCHEMBL1254473 0.82 HTR7 (0.63) HTR7DRD1DRD3
SCHEMBL9805060 0.72 SMN1; SMN2 (0.63) MAPTSMN1; SMN2ALDH1A1POLBLMNA
SCHEMBL11279556 0.72 MAPT (0.63) MAPTSMN1; SMN2ALDH1A1POLBLMNA
SCHEMBL7853505 0.72 TRPV1 (0.56) MAPTSMN1; SMN2HTR7ALDH1A1POLB
SCHEMBL2196037 0.72 HTR7 (0.45) HTR7DRD1DRD3
SCHEMBL12418239 0.71 KCNH2 (0.52) MAPTSMN1; SMN2HTR7ALDH1A1DRD3
SCHEMBL11914802 0.70 ALDH1A1 (0.60) MAPTSMN1; SMN2ALDH1A1POLBLMNA
SCHEMBL2191733 0.70 HTR7 (0.50) HTR7DRD1DRD3

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 12 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-20110172242-A1 TREATMENT OF ORGANOPHOSPHATE EXPOSURE WITH TETRAHYDROINDOLONE ARYLPIPERAZINE COMPOUNDS ABRAXIS BIOSCIENCE, INC. 2011-07-14 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
EP-1764134-B1 Purine derivatives linked to arylpiperazines SPECTRUM PHARMACEUTICALS INC (US) 2009-01-28 EP disclosed
EP-1412028-B1 TETRAHYDROINDOLONE DERIVATIVES LINKED TO ARYLPIPERAZINES SPECTRUM PHARMACEUTICALS INC (US) 2007-10-17 EP disclosed
EP-1764134-A2 Tetrahydroindolone and purine derivatives linked to arylpiperazines Spectrum Pharmaceuticals, Inc. (US) 2007-03-21 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
US-20030114463-A1 Tetrahydroindolone and purine derivatives linked to arylpiperazines SPECTRUM PHARMACEUTICALS, INC. 2003-06-19 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 (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 MAPT 2521/4885SMN1; SMN2 4626/4885HTR7 20/4885
US-20110172242-A1 TREATMENT OF ORGANOPHOSPHATE EXPOSURE WITH TETRAHYDROINDOLONE ARYLPIPERAZINE COMPOUNDS DDT, CYP4X1, AHR MAPT 3987/4885SMN1; SMN2 3984/4885HTR7 199/4885
US-20150051219-A1 TREATMENT OF ORGANOPHOSPHATE EXPOSURE WITH TETRAHYDROINDOLONE ARYLPIPERAZINE COMPOUNDS DDT, CYP4X1, AHR MAPT 3987/4885SMN1; SMN2 3984/4885HTR7 199/4885
US-20030114463-A1 Tetrahydroindolone and purine derivatives linked to arylpiperazines HTR5A, GABRA5, HTR2C MAPT 1264/4885SMN1; SMN2 3063/4885HTR7 7/4885
US-20050107439-A1 Composition and method for treating emesis VIP, HNMT, FABP2 MAPT 3676/4885SMN1; SMN2 1233/4885HTR7 119/4885
US-20090264443-A1 TREATMENT OF ORGANOPHOSPHATE EXPOSURE WITH TETRAHYDROINDOLONE ARYLPIPERAZINE COMPOUNDS DDT, CYP4X1, AHR MAPT 3987/4885SMN1; SMN2 3984/4885HTR7 199/4885

“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.