SCHEMBL5214854

SCHEMBL5214854

O=C1CCCc2c1ccn2CCCN1CCCN(c2ncccn2)CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 6/20 0.50
HTR1A P08908 3/20 0.49
DRD2 P14416 3/20 0.47
TMEM97 Q5BJF2 2/20 0.47
SIGMAR1 Q99720 2/20 0.47
DRD1 P21728 1/20 0.47
PARP1 P09874 1/20 0.47
DRD4 P21917 2/20 0.47
ABCB11 O95342 1/20 0.43
ALDH1A1 P00352 1/20 0.43
CYP1A2 P05177 1/20 0.43
ADRA2A P08913 1/20 0.43
CYP2D6 P10635 1/20 0.43
ADRA2B P18089 1/20 0.43
ADRA2C P18825 1/20 0.43
ADRA1D P25100 1/20 0.43
HTR2A P28223 1/20 0.43
CYP2C19 P33261 1/20 0.43
HTR7 P34969 1/20 0.43
ADRA1A P35348 1/20 0.43

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
SCHEMBL1255429 0.98 DRD3 (0.52) DRD3HTR1ADRD2TMEM97SIGMAR1
SCHEMBL1255580 0.96 HTR1A (0.54) DRD3HTR1ADRD2SIGMAR1DRD1
SCHEMBL2193115 0.91 HTR1A (0.47) DRD3HTR1ADRD2SIGMAR1DRD1
SCHEMBL2196560 0.86 LMNA (0.41) DRD3HTR1ADRD2SIGMAR1DRD1
SCHEMBL2224598 0.84 HTR1A (0.43) DRD3HTR1ADRD2SIGMAR1DRD1
SCHEMBL2198353 0.79 LMNA (0.42) DRD3HTR1ADRD2DRD1PARP1
SCHEMBL2195924 0.78 SIGMAR1 (0.57) DRD3HTR1ADRD2SIGMAR1ADRA1D
SCHEMBL2192247 0.78 ALDH1A1 (0.46) DRD3HTR1ADRD2DRD4ALDH1A1
SCHEMBL2197706 0.78 KDM4E (0.48) DRD3HTR1ADRD2TMEM97SIGMAR1
SCHEMBL2194931 0.78 KDM4E (0.47) DRD3HTR1ADRD2TMEM97SIGMAR1

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1412028-B1 TETRAHYDROINDOLONE DERIVATIVES LINKED TO ARYLPIPERAZINES SPECTRUM PHARMACEUTICALS INC (US) 2007-10-17 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
EP-1764134-A2 Tetrahydroindolone and purine derivatives linked to arylpiperazines Spectrum Pharmaceuticals, Inc. (US) 2007-03-21 EP 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 (1 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-20030114463-A1 Tetrahydroindolone and purine derivatives linked to arylpiperazines HTR5A, GABRA5, HTR2C DRD3 65/4885HTR1A 12/4885DRD2 11/4885

“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.