SCHEMBL1255261

SCHEMBL1255261

c1ccc2c(C3CNCC[N]3)n[nH]c2c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.40
GAA P10253 2/20 0.40
PDPK1 O15530 1/20 0.40
CYP3A4 P08684 1/20 0.40
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38
HTR2B P41595 1/20 0.38
IDO1 P14902 3/20 0.38
ADRA2A P08913 2/20 0.38
ALDH1A1 P00352 2/20 0.38
ALPL P05186 1/20 0.38
HPGD P15428 1/20 0.38
TTK P33981 1/20 0.38
MAPK10 P53779 1/20 0.38
CYP1A2 P05177 1/20 0.35
MAPK8 P45983 1/20 0.34
MAPK9 P45984 1/20 0.34
IRAK4 Q9NWZ3 1/20 0.34
CCNT1 O60563 3/20 0.33
CCNK O75909 3/20 0.33

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
SCHEMBL10395724 0.75 MAPK8 (0.44) KDM4EGAAPDPK1CYP3A4HTR2A
SCHEMBL31295161 0.75 MAPK8 (0.44) KDM4EGAAPDPK1CYP3A4HTR2A
SCHEMBL2201319 0.75 KDM4E (0.41) KDM4EALDH1A1CYP1A2
SCHEMBL8469607 0.74 KDM4E (0.41) KDM4EGAAPDPK1CYP3A4HTR2A
SCHEMBL31358121 0.73 HTR2A (0.51) KDM4EGAAPDPK1CYP3A4HTR2A
SCHEMBL7714021 0.73 HTR2A (0.51) KDM4EGAAPDPK1CYP3A4HTR2A
SCHEMBL6801582 0.72 SSTR4 (0.35) CYP3A4HTR2A
SCHEMBL2202390 0.72 MAPT (0.44) HTR2CADRA2AALDH1A1NPC1RAB9A
SCHEMBL31295238 0.72 DRD2 (0.52) KDM4EGAAPDPK1CYP3A4HTR2A
SCHEMBL1545976 0.71 HTR2C (0.50) KDM4EGAAPDPK1CYP3A4HTR2A

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 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-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-2285373-A2 TREATMENT OF ORGANOPHOSPHATE EXPOSURE WITH TETRAHYDROINDOLONE ARYLPIPERAZINE COMPOUNDS Cenomed Biosciences, LLC (US) 2011-02-23 EP disclosed
WO-2010036395-A2 TREATMENT OF ORGANOPHOSPHATE EXPOSURE WITH TETRAHYDROINDOLONE ARYLPIPERAZINE COMPOUNDS CENOMED BIOSCIENCES, LLC (US) 2010-04-01 WO disclosed
US-20090264443-A1 TREATMENT OF ORGANOPHOSPHATE EXPOSURE WITH TETRAHYDROINDOLONE ARYLPIPERAZINE COMPOUNDS ABRAXIS BIOSCIENCE, INC. 2009-10-22 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 KDM4E 1998/4885GAA 4723/4885PDPK1 1056/4885
US-20150051219-A1 TREATMENT OF ORGANOPHOSPHATE EXPOSURE WITH TETRAHYDROINDOLONE ARYLPIPERAZINE COMPOUNDS DDT, CYP4X1, AHR KDM4E 1998/4885GAA 4723/4885PDPK1 1056/4885
US-20050107439-A1 Composition and method for treating emesis VIP, HNMT, FABP2 KDM4E 3704/4885GAA 2476/4885PDPK1 4138/4885
US-20090264443-A1 TREATMENT OF ORGANOPHOSPHATE EXPOSURE WITH TETRAHYDROINDOLONE ARYLPIPERAZINE COMPOUNDS DDT, CYP4X1, AHR KDM4E 1998/4885GAA 4723/4885PDPK1 1056/4885

“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.