SCHEMBL1384418

SCHEMBL1384418

Cc1ccc(S(=O)(=O)NCCCCN2CCN(c3cccc(NS(C)(=O)=O)c3)CC2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 14/20 1.00
KCNH2 Q12809 2/20 0.76
HTR7 P34969 5/20 0.59
DRD2 P14416 1/20 0.57
ADRA1A P35348 1/20 0.57
DRD3 P35462 1/20 0.57
HTR2A P28223 2/20 0.57
SLC6A4 P31645 1/20 0.57
HTR2B P41595 1/20 0.57
HTR6 P50406 2/20 0.56
MBTD1 Q05BQ5 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
HTR2C P28335 1/20 0.53

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
SCHEMBL1383420 0.91 HTR1A (1.00) HTR1AKCNH2HTR7DRD2HTR2A
SCHEMBL1385708 0.90 HTR1A (1.00) HTR1AKCNH2HTR7HTR2ASLC6A4
SCHEMBL13532839 0.87 HTR1A (0.77) HTR1AKCNH2HTR7DRD2HTR2A
SCHEMBL3869342 0.87 HTR1A (1.00) HTR1AKCNH2HTR7HTR2ASLC6A4
SCHEMBL3869416 0.86 HTR1A (0.78) HTR1AKCNH2HTR7DRD2HTR2A
SCHEMBL3878725 0.85 HTR1A (1.00) HTR1AKCNH2HTR7HTR2ASLC6A4
SCHEMBL1382312 0.84 HTR1A (1.00) HTR1AKCNH2HTR7HTR2ASLC6A4
SCHEMBL3870129 0.84 HTR1A (1.00) HTR1AKCNH2HTR7DRD2HTR2A
SCHEMBL3867617 0.84 HTR1A (1.00) HTR1AKCNH2HTR7HTR2ASLC6A4
SCHEMBL1383489 0.84 HTR7 (0.83) HTR1AKCNH2HTR7HTR2ASLC6A4

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 25 patents — showing the first 20. 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-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-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-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-7488731-B2 Arylpiperazinyl compounds EPIX DELAWARE, INC. (US) 2009-02-10 US disclosed
US-7488731-B2 Arylpiperazinyl compounds EPIX DELAWARE, INC. (US) 2009-02-10 US disclosed
US-20070004742-A1 Arylpiperazinyl compounds EPIX DELAWARE, INC. 2007-01-04 US 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 (2 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-20070004742-A1 Arylpiperazinyl compounds HTR5A, HTR1A, HTR2A HTR1A 2/4885KCNH2 1225/4885HTR7 7/4885
US-20040220192-A1 Arylpiperazinyl compounds HTR5A, HTR1A, HTR2A HTR1A 2/4885KCNH2 1225/4885HTR7 7/4885

“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.