SCHEMBL3489408

SCHEMBL3489408

O=S(=O)([O-])OCCNCc1ccccc1.[H+]

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ DRD4 P21917 4/20 0.53
▸ MEN1 O00255 2/20 0.52
▸ KMT2A Q03164 2/20 0.52
▸ TDP1 Q9NUW8 1/20 0.52
▸ CA1 P00915 2/20 0.49
▸ CA2 P00918 2/20 0.49
▸ CA12 O43570 1/20 0.49
▸ CA4 P22748 1/20 0.49
▸ CA9 Q16790 1/20 0.49
▸ MAOA P21397 1/20 0.47
▸ DRD2 P14416 3/20 0.46
▸ DRD3 P35462 3/20 0.46
▸ CHRM2 P08172 1/20 0.46
▸ GAA P10253 1/20 0.46
▸ MAPT P10636 1/20 0.46
▸ PPARG P37231 1/20 0.45
▸ KDM4E B2RXH2 1/20 0.44
▸ POLB P06746 1/20 0.44
▸ KCNH2 Q12809 1/20 0.44

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
SCHEMBL3489405 0.81 DRD4 (0.54) DRD4MEN1KMT2ATDP1CA1
SCHEMBL7809908 0.81 DRD4 (0.54) DRD4MEN1KMT2ATDP1CA1
SCHEMBL21408106 0.77 CA12 (0.54) DRD4MEN1KMT2ATDP1CA1
SCHEMBL893830 0.72 TDP1 (0.67) DRD4MEN1KMT2ATDP1MAOA
SCHEMBL2635217 0.72 CA2 (0.61) KMT2ACA1CA2CA12CA4
SCHEMBL11179375 0.72 TDP1 (0.67) DRD4MEN1KMT2ATDP1MAOA
Sulfuric Acid SCHEMBL28866056 0.72 MEN1 (0.74) MEN1KMT2ATDP1CA1CA2
SCHEMBL5764 0.71 MEN1 (1.00) DRD4MEN1KMT2ATDP1MAOA
SCHEMBL18823259 0.71 MEN1 (0.64) DRD4MEN1KMT2ATDP1MAOA
SCHEMBL1715809 0.71 MEN1 (0.64) DRD4MEN1KMT2ATDP1MAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100056523-A1 INHIBITORS OF AKT ACTIVITY SMITHKLINE BEECHAM CORPORATION 2010-03-04 — — US disclosed
US-7625890-B2 Substituted imidazo[4,5-c]pyridine compounds as Akt inhibitors SMITHKLINE BEECHAM CORP. (US) 2009-12-01 — — US disclosed
WO-2008121685-A1 METHODS OF USE FOR INHIBITORS OF AKT ACTIVITY SMITHKLINE BEECHAM CORPORATION (US) 2008-10-09 — — WO disclosed
EP-1948188-A2 INHIBITORS OF AKT ACTIVITY SmithKline Beecham Corporation (US) 2008-07-30 — — EP disclosed
US-20080076763-A1 Inhibitors of Akt activity GLAXOSMITHKLINE LLC 2008-03-27 — — US disclosed
US-20070123532-A1 PIPERAZINE DERIVATIVES FUJISAWA PHARMACEUTICAL CO. LTD. (JP) 2007-05-31 — — US disclosed
WO-2007058850-A2 INHIBITORS OF AKT ACTIVITY SMITHKLINE BEECHAM CORPORATION (US) 2007-05-24 — — WO disclosed
US-7166598-B2 e.g 1-[3,5-bis(trifluoromethyl)benzoyl]-2-[3-[(2-methoxyethoxy)-methoxy]-4-methylbenzyl]-4-[2-[(3R)-3-methoxymethyl-morpholino]ethyl]piperazine; treating or preventing Tachykinin-mediated diseases such as asthma, emesis, an anxiety disorder, pollakiuria, urinary incontinence and irritable bowel syndrome ASTELLAS PHARMA INC. (JP) 2007-01-23 — — US disclosed
EP-1140924-B1 PIPERAZINE DERIVATIVES ASTELLAS PHARMA INC (JP) 2006-03-22 — — EP disclosed
US-20060014948-A1 e.g 1-[3,5-bis(trifluoromethyl)benzoyl]-2-[3-[(2-methoxyethoxy)-methoxy]-4-methylbenzyl]-4-[2-[(3R)-3-methoxymethyl-morpholino]ethyl]piperazine; treating or preventing Tachykinin-mediated diseases in humans or animals FUJISAWA PHARMACEUTICAL CO. LTD. (JP) 2006-01-19 — — 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-20060014948-A1 e.g 1-[3,5-bis(trifluoromethyl)benzoyl]-2-[3-[(2-methoxyethoxy)-methoxy]-4-methylbenzyl]-4-[2-[(3R)-3-methoxymethyl-morpholino]ethyl]piperazine; treating or preventing Tachykinin-mediated diseases in humans or animals PKD2, TAC3, PKD1 DRD4 1628/4885MEN1 519/4885KMT2A 709/4885
US-20080076763-A1 Inhibitors of Akt activity PI4KB, PIK3CA, AKT2 DRD4 4782/4885MEN1 3151/4885KMT2A 1852/4885
US-20100056523-A1 INHIBITORS OF AKT ACTIVITY PI4KB, PIK3CA, AKT2 DRD4 4782/4885MEN1 3151/4885KMT2A 1852/4885
US-20070123532-A1 PIPERAZINE DERIVATIVES PKD2, SSTR5, IL5 DRD4 752/4885MEN1 954/4885KMT2A 1454/4885

“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.

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