SCHEMBL2196560

SCHEMBL2196560

O=C1CCCc2c1ccn2CCCN1CCN(c2ncc(Br)cn2)CC1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.41
HTT P42858 1/20 0.41
HTR1A P08908 4/20 0.40
DRD3 P35462 5/20 0.40
DRD2 P14416 2/20 0.38
DRD1 P21728 1/20 0.38
PARP1 P09874 1/20 0.37
KDR P35968 1/20 0.37
USP2 O75604 1/20 0.37
MAPT P10636 1/20 0.37
KIT P10721 1/20 0.37
DRD4 P21917 1/20 0.37
SIGMAR1 Q99720 2/20 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
SCHEMBL2224598 0.98 HTR1A (0.43) LMNAHTTHTR1ADRD3DRD2
SCHEMBL2198353 0.94 LMNA (0.42) LMNAHTTHTR1ADRD3DRD2
SCHEMBL1255429 0.88 DRD3 (0.52) HTR1ADRD3DRD2DRD1PARP1
SCHEMBL5214854 0.86 DRD3 (0.50) HTR1ADRD3DRD2DRD1PARP1
SCHEMBL1255580 0.86 HTR1A (0.54) HTR1ADRD3DRD2DRD1PARP1
SCHEMBL2195337 0.84 SLC6A2 (0.43) HTR1ADRD3DRD2DRD4
SCHEMBL1255683 0.81 DRD2 (0.44) HTR1ADRD3DRD2DRD4
SCHEMBL2193115 0.81 HTR1A (0.47) LMNAHTTHTR1ADRD3DRD2
SCHEMBL2194313 0.81 HTR1A (0.46) HTR1ADRD3DRD2DRD4
SCHEMBL2192247 0.77 ALDH1A1 (0.46) HTR1ADRD3DRD2MAPTDRD4

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 4 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
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 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 LMNA 4576/4885HTT 382/4885HTR1A 8/4885
US-20110172242-A1 TREATMENT OF ORGANOPHOSPHATE EXPOSURE WITH TETRAHYDROINDOLONE ARYLPIPERAZINE COMPOUNDS DDT, CYP4X1, AHR LMNA 4193/4885HTT 1240/4885HTR1A 440/4885
US-20150051219-A1 TREATMENT OF ORGANOPHOSPHATE EXPOSURE WITH TETRAHYDROINDOLONE ARYLPIPERAZINE COMPOUNDS DDT, CYP4X1, AHR LMNA 4193/4885HTT 1240/4885HTR1A 440/4885
US-20090264443-A1 TREATMENT OF ORGANOPHOSPHATE EXPOSURE WITH TETRAHYDROINDOLONE ARYLPIPERAZINE COMPOUNDS DDT, CYP4X1, AHR LMNA 4193/4885HTT 1240/4885HTR1A 440/4885

“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.