SCHEMBL2197948

SCHEMBL2197948

O=C1CCCc2c1ccn2CCCCN1CCN(c2ccc(Cl)cc2)CC1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.50
GAA P10253 1/20 0.50
DRD2 P14416 11/20 0.48
DRD3 P35462 6/20 0.48
DRD5 P21918 5/20 0.48
HTR1A P08908 8/20 0.47
HTR7 P34969 6/20 0.47
HTR2A P28223 5/20 0.47
SIGMAR1 Q99720 4/20 0.47
TMEM97 Q5BJF2 2/20 0.47
HTR2C P28335 1/20 0.47
HRH1 P35367 1/20 0.47
DRD4 P21917 3/20 0.47
HSD17B10 Q99714 1/20 0.46
HTR6 P50406 3/20 0.46
DRD1 P21728 1/20 0.46

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
SCHEMBL3424068 0.99 KDM4E (0.49) KDM4EGAADRD2DRD3DRD5
SCHEMBL2194931 0.98 KDM4E (0.47) KDM4EGAADRD2DRD3DRD5
SCHEMBL4057154 0.97 KDM4E (0.47) KDM4EGAADRD2DRD3DRD5
SCHEMBL2196865 0.93 HTR1A (0.47) KDM4EGAADRD2DRD3DRD5
SCHEMBL1255683 0.89 DRD2 (0.44) KDM4EDRD2DRD3HTR1AHTR7
SCHEMBL1256145 0.89 HTR1A (0.49) KDM4EDRD2DRD3DRD5HTR1A
SCHEMBL2191495 0.89 ALDH1A1 (0.46) KDM4EDRD2DRD3HTR1AHTR7
SCHEMBL1255686 0.88 KCNH2 (0.60) DRD2DRD3HTR1AHTR7HTR2A
SCHEMBL1254885 0.88 HTR7 (0.48) DRD2DRD3HTR1AHTR7HTR2A
SCHEMBL2194313 0.88 HTR1A (0.46) KDM4EGAADRD2DRD3HTR1A

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 8 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
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
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
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 KDM4E 3758/4885GAA 684/4885DRD2 646/4885
US-20090156609-A1 TREATMENT OF POST-TRAUMATIC STRESS DISORDER WITH TETRAHYDROINDOLONE ARYLPIPERZAINE COMPOUNDS HTR5A, HTR2C, HTR3B KDM4E 2400/4885GAA 4508/4885DRD2 21/4885
US-20110172242-A1 TREATMENT OF ORGANOPHOSPHATE EXPOSURE WITH TETRAHYDROINDOLONE ARYLPIPERAZINE COMPOUNDS DDT, CYP4X1, AHR KDM4E 1998/4885GAA 4723/4885DRD2 1585/4885
US-20150051219-A1 TREATMENT OF ORGANOPHOSPHATE EXPOSURE WITH TETRAHYDROINDOLONE ARYLPIPERAZINE COMPOUNDS DDT, CYP4X1, AHR KDM4E 1998/4885GAA 4723/4885DRD2 1585/4885
US-20100305141-A1 TETRAHYDROINDOLONE DERIVATIVES FOR TREATMENT OF NEUROLOGICAL CONDITIONS NLN, CYP11B2, GRIN2C KDM4E 3731/4885GAA 1190/4885DRD2 464/4885
US-20090264443-A1 TREATMENT OF ORGANOPHOSPHATE EXPOSURE WITH TETRAHYDROINDOLONE ARYLPIPERAZINE COMPOUNDS DDT, CYP4X1, AHR KDM4E 1998/4885GAA 4723/4885DRD2 1585/4885

“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.