SCHEMBL1383489

SCHEMBL1383489

COc1cccc(N2CCN(CCCCNS(=O)(=O)c3ccc(C)cc3)CC2)c1

nearest known ligand 0.83

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 7/20 0.83
HTR1A P08908 13/20 0.75
KCNH2 Q12809 4/20 0.70
HTR2A P28223 3/20 0.67
HTR2C P28335 2/20 0.67
SLC6A4 P31645 1/20 0.67
HTR2B P41595 1/20 0.67
HTR6 P50406 1/20 0.67

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
SCHEMBL3869416 0.88 HTR1A (0.78) HTR7HTR1AKCNH2HTR2AHTR2C
SCHEMBL13532839 0.87 HTR1A (0.77) HTR7HTR1AKCNH2HTR2AHTR2C
SCHEMBL1382312 0.86 HTR1A (1.00) HTR7HTR1AKCNH2HTR2ASLC6A4
SCHEMBL13532842 0.86 HTR1A (0.75) HTR7HTR1AKCNH2HTR2AHTR2C
SCHEMBL1383722 0.86 HTR1A (0.82) HTR7HTR1AKCNH2HTR2ASLC6A4
SCHEMBL1384418 0.84 HTR1A (1.00) HTR7HTR1AKCNH2HTR2AHTR2C
SCHEMBL1383439 0.84 HTR1A (0.72) HTR7HTR1AKCNH2HTR2AHTR2C
SCHEMBL3869412 0.84 HTR1A (0.73) HTR7HTR1AKCNH2HTR2ASLC6A4
Hydrochloric Acid SCHEMBL1386272 0.83 HTR1A (0.71) HTR7HTR1AKCNH2HTR2AHTR2C
SCHEMBL1383420 0.83 HTR1A (1.00) HTR7HTR1AKCNH2HTR2ASLC6A4

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 19 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-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 HTR7 7/4885HTR1A 2/4885KCNH2 1225/4885
US-20100009983-A1 5 HT RECEPTOR MEDIATED NEUROGENESIS HTR6, GAP43, HTR5A HTR7 11/4885HTR1A 7/4885KCNH2 3934/4885
US-20070004742-A1 Arylpiperazinyl compounds HTR5A, HTR1A, HTR2A HTR7 7/4885HTR1A 2/4885KCNH2 1225/4885
US-20040220192-A1 Arylpiperazinyl compounds HTR5A, HTR1A, HTR2A HTR7 7/4885HTR1A 2/4885KCNH2 1225/4885

“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.