SCHEMBL2196795

SCHEMBL2196795

CN(C)c1ccccc1P(C1CCCCC1)C1CCCCC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 3/20 0.39
KDM4E B2RXH2 3/20 0.33
ALDH1A1 P00352 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
GAA P10253 2/20 0.32
MAPT P10636 2/20 0.32
TSHR P16473 2/20 0.32
TP53 P04637 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
ROCK2 O75116 1/20 0.32
LMNA P02545 1/20 0.32
CHEK1 O14757 1/20 0.32
NEK2 P51955 1/20 0.32
LIMK1 P53667 1/20 0.32
DYRK1A Q13627 1/20 0.32
CLK4 Q9HAZ1 1/20 0.32
HPGD P15428 2/20 0.31
ATM Q13315 1/20 0.31
USP2 O75604 1/20 0.31

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
SCHEMBL2848631 0.89 KDM4E (0.33) HTR6KDM4EALDH1A1MEN1KMT2A
SCHEMBL29354371 0.87 HTR6 (0.36) HTR6KDM4EALDH1A1MEN1KMT2A
SCHEMBL21788 0.87 HTR6 (0.36) HTR6KDM4EALDH1A1MEN1KMT2A
SCHEMBL29353225 0.87 HTR6 (0.36) HTR6KDM4EALDH1A1MEN1KMT2A
SCHEMBL4988734 0.85 HTR6 (0.34) HTR6ALDH1A1GAAMAPTTSHR
Bromide SCHEMBL1030113 0.84 HTR6 (0.35) HTR6ALDH1A1MAPTLMNA
SCHEMBL29378142 0.84 MAPT (0.41) HTR6KDM4EALDH1A1GAAMAPT
SCHEMBL14736169 0.84 MAPT (0.41) HTR6KDM4EALDH1A1GAAMAPT
SCHEMBL19469290 0.83 HTR6 (0.34) HTR6ALDH1A1MAPTLMNA
SCHEMBL32667778 0.83 NSD2 (0.40) HTR6ALDH1A1MAPTROCK2LMNA

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 56 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6686495-B2 IN PRESENCE OF PALLADIUM CATALYST; USEFUL IN PRODUCING CHEMICAL INTERMEDIATES FOR PHARMACEUTICALS, OPTICAL BRIGHTENING AGENTS AND AGROCHEMICALS OMG AG & CO KG (DE) 2004-02-03 US claimed
US-20020107426-A1 Process for the preparation of mono-, bi- or poly- functional biaryls UMICORE AG & CO. KG (DE) 2002-08-08 US claimed
EP-1199292-A1 Process for the production of mono-, bi- or polyfunctional biaryls OMG AG & Co. KG (DE) 2002-04-24 EP claimed
US-20260021192-A1 PROTEINS HAVING A COVALENT WARHEAD TOPAZ THERAPEUTICS INC (US) 2026-01-22 US disclosed
US-20240424116-A1 Pegylated-AU(III) Reagents for Rapid Cysteine S-Arylation of Biomolecules UNIV CALIFORNIA (US) 2024-12-26 US disclosed
US-20130253185-A1 NOVEL CATALYSTS DALHOUSIE UNIVERSITY (CA) 2013-09-26 US disclosed
US-20130253185-A1 NOVEL CATALYSTS DALHOUSIE UNIVERSITY (CA) 2013-09-26 US disclosed
US-8236947-B2 Quinoline derivatives and their use as 5-HT6 ligands GLAXO GROUP LIMITED (GB) 2012-08-07 US disclosed
EP-2120950-B1 USE OF QUINOLINE DERIVATIVES IN THE TREATMENT OF PAIN GLAXO GROUP LTD (GB) 2012-07-04 EP disclosed
WO-2012068335-A2 NOVEL CATALYSTS DALHOUSIE UNIVERSITY (CA) 2012-05-24 WO disclosed
US-20110237792-A1 QUINOLINE DERIVATIVES AND THEIR USE AS 5-HT6 LIGANDS GLAXO GROUP LIMITED 2011-09-29 US disclosed
US-20050124628-A1 Novel compounds ROIVANT NEUROSCIENCES LTD. (BM) 2005-06-09 US disclosed
WO-2005030724-A1 PIPERAZINYL-QUINOLINE DERIVATIVES USEFUL FOR THE TREATMENT OF CNS DISORDERS GLAXO GROUP LIMITED (GB) 2005-04-07 WO disclosed
WO-2005021530-A1 8- (1-PIPERAZINYL)- QUINOLINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF CNS DISORDERS GLAXO GROUP LIMITED (GB) 2005-03-10 WO disclosed
EP-1497266-A2 QUINOLINE DERIVATIVES AND THEIR USE AS 5-HT6 LIGANDS GLAXO GROUP LIMITED (GB) 2005-01-19 EP disclosed
WO-2004080986-A1 PHENYL SULFONE DERIVATIVES AND THEIR USE IN THE TREATMENT OF CNS DISORDERS GLAXO GROUP LIMITED (GB) 2004-09-23 WO disclosed
US-6686495-B2 IN PRESENCE OF PALLADIUM CATALYST; USEFUL IN PRODUCING CHEMICAL INTERMEDIATES FOR PHARMACEUTICALS, OPTICAL BRIGHTENING AGENTS AND AGROCHEMICALS OMG AG & CO KG (DE) 2004-02-03 US disclosed
WO-2003080580-A2 QUINOLINE DERIVATIVES AND THEIR USE AS 5-HT6 LIGANDS GLAXO GROUP LIMITED (GB) 2003-10-02 WO disclosed
US-20020107426-A1 Process for the preparation of mono-, bi- or poly- functional biaryls UMICORE AG & CO. KG (DE) 2002-08-08 US disclosed
EP-1199292-A1 Process for the production of mono-, bi- or polyfunctional biaryls OMG AG & Co. KG (DE) 2002-04-24 EP 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 (5 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-20050124628-A1 Novel compounds NLN, ATP6V1B2, CHRNA2 HTR6 111/4885KDM4E 2860/4885ALDH1A1 2947/4885
US-20240424116-A1 Pegylated-AU(III) Reagents for Rapid Cysteine S-Arylation of Biomolecules LNPEP, PTMS, EGFR HTR6 3981/4885KDM4E 4651/4885ALDH1A1 2594/4885
US-20110237792-A1 QUINOLINE DERIVATIVES AND THEIR USE AS 5-HT6 LIGANDS HTR6, HTR1A, HTR7 HTR6 1/4885KDM4E 4169/4885ALDH1A1 2401/4885
US-20260021192-A1 PROTEINS HAVING A COVALENT WARHEAD RIOX2, ORC3, DCLRE1A HTR6 4206/4885KDM4E 3880/4885ALDH1A1 3714/4885
US-20020107426-A1 Process for the preparation of mono-, bi- or poly- functional biaryls CYP4F3, CYP4F2, CYP2F1 HTR6 4072/4885KDM4E 2972/4885ALDH1A1 714/4885

“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.