SCHEMBL1255686

SCHEMBL1255686

O=C1CCCc2c1ccn2CCCCN1CCN(c2cccc(Cl)c2)CC1

nearest known ligand 0.60

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.60
DRD2 P14416 2/20 0.53
DRD3 P35462 1/20 0.53
HTR1A P08908 6/20 0.52
HTR7 P34969 4/20 0.52
SIGMAR1 Q99720 1/20 0.51
HTR2A P28223 1/20 0.51
HTR6 P50406 1/20 0.51

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
SCHEMBL1254385 0.98 KCNH2 (0.57) KCNH2DRD2DRD3HTR1AHTR7
SCHEMBL29462333 0.94 DRD2 (0.54) KCNH2DRD2DRD3HTR1AHTR7
SCHEMBL1253420 0.94 DRD2 (0.54) KCNH2DRD2DRD3HTR1AHTR7
SCHEMBL2197948 0.88 KDM4E (0.50) DRD2DRD3HTR1AHTR7SIGMAR1
SCHEMBL1254885 0.87 HTR7 (0.48) KCNH2DRD2DRD3HTR1AHTR7
SCHEMBL3424068 0.87 KDM4E (0.49) DRD2DRD3HTR1AHTR7SIGMAR1
SCHEMBL1254641 0.87 HTR7 (0.66) DRD2DRD3HTR1AHTR7SIGMAR1
SCHEMBL2195717 0.87 HTR7 (0.46) KCNH2DRD2DRD3HTR1AHTR7
SCHEMBL1255390 0.86 HTR7 (0.45) KCNH2DRD2DRD3HTR1AHTR7
SCHEMBL2196552 0.86 HTR7 (0.45) KCNH2DRD2DRD3HTR1AHTR7

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
US-20150051219-A1 TREATMENT OF ORGANOPHOSPHATE EXPOSURE WITH TETRAHYDROINDOLONE ARYLPIPERAZINE COMPOUNDS HELTON DAVID REED (US) 2015-02-19 US claimed
US-20110172242-A1 TREATMENT OF ORGANOPHOSPHATE EXPOSURE WITH TETRAHYDROINDOLONE ARYLPIPERAZINE COMPOUNDS ABRAXIS BIOSCIENCE, INC. 2011-07-14 US claimed
EP-2285373-A2 TREATMENT OF ORGANOPHOSPHATE EXPOSURE WITH TETRAHYDROINDOLONE ARYLPIPERAZINE COMPOUNDS Cenomed Biosciences, LLC (US) 2011-02-23 EP claimed
WO-2010036395-A2 TREATMENT OF ORGANOPHOSPHATE EXPOSURE WITH TETRAHYDROINDOLONE ARYLPIPERAZINE COMPOUNDS CENOMED BIOSCIENCES, LLC (US) 2010-04-01 WO claimed
US-20090264443-A1 TREATMENT OF ORGANOPHOSPHATE EXPOSURE WITH TETRAHYDROINDOLONE ARYLPIPERAZINE COMPOUNDS ABRAXIS BIOSCIENCE, INC. 2009-10-22 US claimed
US-20050107439-A1 Composition and method for treating emesis HELTON DAVID R (US) 2005-05-19 US claimed
US-20050107439-A1 Composition and method for treating emesis HELTON DAVID R (US) 2005-05-19 US disclosed
US-20050107439-A1 Composition and method for treating emesis HELTON DAVID R (US) 2005-05-19 US disclosed
US-20050107439-A1 Composition and method for treating emesis HELTON DAVID R (US) 2005-05-19 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 (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-20110172242-A1 TREATMENT OF ORGANOPHOSPHATE EXPOSURE WITH TETRAHYDROINDOLONE ARYLPIPERAZINE COMPOUNDS DDT, CYP4X1, AHR KCNH2 2172/4885DRD2 1585/4885DRD3 1448/4885
US-20150051219-A1 TREATMENT OF ORGANOPHOSPHATE EXPOSURE WITH TETRAHYDROINDOLONE ARYLPIPERAZINE COMPOUNDS DDT, CYP4X1, AHR KCNH2 2172/4885DRD2 1585/4885DRD3 1448/4885
US-20050107439-A1 Composition and method for treating emesis VIP, HNMT, FABP2 KCNH2 184/4885DRD2 2071/4885DRD3 3181/4885
US-20090264443-A1 TREATMENT OF ORGANOPHOSPHATE EXPOSURE WITH TETRAHYDROINDOLONE ARYLPIPERAZINE COMPOUNDS DDT, CYP4X1, AHR KCNH2 2172/4885DRD2 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.