SCHEMBL1255259

SCHEMBL1255259

c1ccc2c(C3C[N]CCN3)n[nH]c2c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.40
GAA P10253 2/20 0.40
PDPK1 O15530 1/20 0.40
CYP3A4 P08684 1/20 0.40
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
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
HTR2B P41595 1/20 0.35
CYP1A2 P05177 1/20 0.35
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
LRRK2 Q5S007 2/20 0.33
TP53 P04637 1/20 0.33
MAPK8 P45983 1/20 0.32

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
SCHEMBL8469607 0.77 KDM4E (0.41) KDM4EGAAPDPK1CYP3A4IDO1
Hydrochloric Acid SCHEMBL25436608 0.74 CCNK (0.39) KDM4EGAAPDPK1CYP3A4IDO1
SCHEMBL1394532 0.70 PRCP (0.40) ALDH1A1HPGDCYP1A2RAB9ATP53
SCHEMBL3057752 0.70 KDM4E (0.50) KDM4EGAAPDPK1CYP3A4IDO1
SCHEMBL1394389 0.70 PRCP (0.40) ALDH1A1HPGDCYP1A2RAB9ATP53
SCHEMBL1394075 0.70 PRCP (0.40) ALDH1A1HPGDCYP1A2RAB9ATP53
SCHEMBL5652867 0.69 KDM1A (0.41) IDO1ADRA2A
SCHEMBL5652864 0.69 KDM1A (0.41) IDO1ADRA2A
SCHEMBL29869220 0.68 HTR2C (0.50) KDM4EGAAPDPK1CYP3A4IDO1
SCHEMBL1545976 0.68 HTR2C (0.50) KDM4EGAAPDPK1CYP3A4IDO1

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.