SCHEMBL1383370

SCHEMBL1383370

COc1ccc([N+](=O)[O-])cc1N1CCN(CCCCNS(=O)(=O)c2ccc(C)cc2)CC1

nearest known ligand 0.72

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 11/20 0.72
HTR7 P34969 8/20 0.72
HTR2A P28223 3/20 0.72
KCNH2 Q12809 2/20 0.72
SLC6A4 P31645 1/20 0.72
HTR2B P41595 1/20 0.72
DRD2 P14416 5/20 0.61
DRD4 P21917 1/20 0.61
ADRA1D P25100 1/20 0.61
ADRA1A P35348 1/20 0.61
ADRA1B P35368 1/20 0.61
DRD3 P35462 1/20 0.61
ADRA2A P08913 4/20 0.58
HTR2C P28335 2/20 0.57
HTR6 P50406 2/20 0.54
MBTD1 Q05BQ5 1/20 0.51
L3MBTL1 Q9Y468 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
SCHEMBL13922025 0.89 HTR1A (0.60) HTR1AHTR7HTR2AKCNH2SLC6A4
SCHEMBL1383439 0.81 HTR1A (0.72) HTR1AHTR7HTR2AKCNH2SLC6A4
SCHEMBL4776843 0.81 HTR1A (0.94) HTR1AHTR7HTR2AKCNH2SLC6A4
Hydrochloric Acid SCHEMBL1386272 0.80 HTR1A (0.71) HTR1AHTR7HTR2AKCNH2SLC6A4
SCHEMBL4256046 0.79 DRD2 (0.60) HTR1AHTR2ADRD2DRD4ADRA1D
SCHEMBL1725518 0.77 LMNA (0.54) HTR1AHTR2ADRD2ADRA1DADRA1A
SCHEMBL25607591 0.77 LMNA (0.63) HTR1AHTR2ADRD2ADRA1DADRA1A
SCHEMBL12040648 0.76 ALDH1A1 (0.57) HTR1AHTR2ADRD2ADRA1DADRA1A
SCHEMBL4219617 0.76 HTR7 (0.58) HTR1AHTR7HTR6MBTD1L3MBTL1
SCHEMBL1383489 0.75 HTR7 (0.83) HTR1AHTR7HTR2AKCNH2SLC6A4

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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4787148-B2 2011-10-05 JP claimed
EP-1592425-A4 NEW ARYLPIPERAZINYL COMPOUNDS EPIX DELAWARE INC (US) 2007-01-24 EP claimed
US-7153858-B2 Arylpiperazinyl compounds EPIX DELAWARE, INC. (US) 2006-12-26 US claimed
EP-1592425-A2 NEW ARYLPIPERAZINYL COMPOUNDS Predix Pharmaceuticals Holdings, Inc. (US) 2005-11-09 EP claimed
WO-2004069794-A9 NEW ARYLPIPERAZINYL COMPOUNDS PREDIX PHARMACEUTICALS HOLDING (US) 2004-12-09 WO claimed
US-20040220192-A1 Arylpiperazinyl compounds EPIX DELAWARE, INC. 2004-11-04 US claimed
WO-2004069794-A2 NEW ARYLPIPERAZINYL COMPOUNDS PREDIX PHARMACEUTICALS HOLDINGS, INC. (US) 2004-08-19 WO claimed
US-20100009983-A1 5 HT RECEPTOR MEDIATED NEUROGENESIS BRAINCELLS, INC. (US) 2010-01-14 US disclosed
US-7491727-B2 Good selectivity, high affinity, metabolically stable 5-HT receptor modulators with good bioavailability, CNS penetration, and good pharmacokinetic; antiserotonine agents; central nervous system disorders; anxiolytic agents; attention deficit disorders; strokes; headaches EPIX DELAWARE, INC. (US) 2009-02-17 US disclosed
US-7488731-B2 Arylpiperazinyl compounds EPIX DELAWARE, INC. (US) 2009-02-10 US disclosed
US-20080027066-A1 Arylpiperazinyl Compounds EPIX DELAWARE, INC. 2008-01-31 US disclosed
EP-1592425-A4 NEW ARYLPIPERAZINYL COMPOUNDS EPIX DELAWARE INC (US) 2007-01-24 EP disclosed
US-20070004742-A1 Arylpiperazinyl compounds EPIX DELAWARE, INC. 2007-01-04 US disclosed
US-7153858-B2 Arylpiperazinyl compounds EPIX DELAWARE, INC. (US) 2006-12-26 US disclosed
EP-1592425-A2 NEW ARYLPIPERAZINYL COMPOUNDS Predix Pharmaceuticals Holdings, Inc. (US) 2005-11-09 EP disclosed
WO-2004069794-A9 NEW ARYLPIPERAZINYL COMPOUNDS PREDIX PHARMACEUTICALS HOLDING (US) 2004-12-09 WO disclosed
US-20040220192-A1 Arylpiperazinyl compounds EPIX DELAWARE, INC. 2004-11-04 US disclosed
WO-2004069794-A2 NEW ARYLPIPERAZINYL COMPOUNDS PREDIX PHARMACEUTICALS HOLDINGS, INC. (US) 2004-08-19 WO 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-20080027066-A1 Arylpiperazinyl Compounds HTR5A, HTR1A, HTR2A HTR1A 2/4885HTR7 7/4885HTR2A 3/4885
US-20100009983-A1 5 HT RECEPTOR MEDIATED NEUROGENESIS HTR6, GAP43, HTR5A HTR1A 7/4885HTR7 11/4885HTR2A 5/4885
US-20070004742-A1 Arylpiperazinyl compounds HTR5A, HTR1A, HTR2A HTR1A 2/4885HTR7 7/4885HTR2A 3/4885
US-20040220192-A1 Arylpiperazinyl compounds HTR5A, HTR1A, HTR2A HTR1A 2/4885HTR7 7/4885HTR2A 3/4885

“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.