SCHEMBL3365012

SCHEMBL3365012

CC(C)C(C(=O)O)N1CCCN(CCCN2C(=O)c3ccccc3C2=O)C1=O

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAOB P27338 4/20 0.47
ACHE P22303 1/20 0.44
HTR1A P08908 1/20 0.43
DRD2 P14416 3/20 0.42
DRD3 P35462 3/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
ALDH1A1 P00352 2/20 0.41
GAA P10253 2/20 0.41
KMT2A Q03164 2/20 0.41
HPGD P15428 1/20 0.41
HSD17B10 Q99714 1/20 0.41
KDM4E B2RXH2 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
LMNA P02545 1/20 0.40

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
SCHEMBL13541145 0.79 DPP4 (0.35) LMNA
SCHEMBL3364984 0.78 RAB9A (0.33)
SCHEMBL13536555 0.78 RAB9A (0.33) LMNA
SCHEMBL3365015 0.78 MAOB (0.43) MAOBACHEHTR1ADRD2DRD3
SCHEMBL13536563 0.76 RAB9A (0.31)
SCHEMBL13536558 0.72 GRIN2D (0.32)
SCHEMBL13536553 0.70
SCHEMBL11093898 0.69 HDAC1 (0.52) MAOBACHESMN1; SMN2ALDH1A1HPGD
SCHEMBL21383938 0.69 ALDH1A1 (0.52) MAOBACHEHTR1AALDH1A1GAA
SCHEMBL21852722 0.69 HDAC1 (0.55) MAOBSMN1; SMN2ALDH1A1HPGDKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7649015-B2 Cellular accumulation of phosphonate analogs of HIV protease inhibitor compounds GILEAD SCIENCES, INC. (US) 2010-01-19 US disclosed
US-7649015-B2 Cellular accumulation of phosphonate analogs of HIV protease inhibitor compounds GILEAD SCIENCES, INC. (US) 2010-01-19 US disclosed
US-7649015-B2 Cellular accumulation of phosphonate analogs of HIV protease inhibitor compounds GILEAD SCIENCES, INC. (US) 2010-01-19 US disclosed
US-20070010489-A1 Cellular accumulation of phosphonate analogs of hiv protease inhibitor compounds GILEAD SCIENCES, INC. 2007-01-11 US disclosed
US-20070010489-A1 Cellular accumulation of phosphonate analogs of hiv protease inhibitor compounds GILEAD SCIENCES, INC. 2007-01-11 US disclosed
US-20070010489-A1 Cellular accumulation of phosphonate analogs of hiv protease inhibitor compounds GILEAD SCIENCES, INC. 2007-01-11 US disclosed
EP-1711617-A1 METHOD AND COMPOSITIONS FOR IDENTIFYING ANTI-HIV THERAPEUTICS COMPOUNDS GILEAD SCIENCES, INC. (US) 2006-10-18 EP disclosed
WO-2005064008-A9 METHOD AND COMPOSITIONS FOR IDENTIFYING ANTI-HIV THERAPEUTIC COMPOUNDS GILEAD SCIENCES INC (US) 2006-09-28 WO disclosed
US-20050239054-A1 Method and compositions for identifying anti-HIV therapeutic compounds GILEAD SCIENCES. INC. 2005-10-27 US disclosed
US-20050209197-A1 Cellular accumulation of phosphonate analogs of HIV protease inhibitor compounds GILEAD SCIENCES, INC. 2005-09-22 US disclosed
WO-2005064008-A1 METHOD AND COMPOSITIONS FOR IDENTIFYING ANTI-HIV THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. (US) 2005-07-14 WO disclosed
EP-1509537-A2 CELLULAR ACCUMULATION OF PHOSPHONATE ANALOGS OF HIV PROTEASE INHIBITOR COMPOUNDS AND THE COMPOUNDS AS SUCH GILEAD SCIENCES, INC. (US) 2005-03-02 EP disclosed
WO-2003090690-A2 CELLULAR ACCUMULATION OF PHOSPHONATE ANALOGS OF HIV PROTEASE INHIBITOR COMPOUNDS AND THE COMPOUNDS AS SUCH GILEAD SCIENCES, INC. (US) 2003-11-06 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 (3 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-20050209197-A1 Cellular accumulation of phosphonate analogs of HIV protease inhibitor compounds PPA1, PPME1, PNP MAOB 3038/4885ACHE 1947/4885HTR1A 4505/4885
US-20050239054-A1 Method and compositions for identifying anti-HIV therapeutic compounds CES1, PNP, PGLS MAOB 2773/4885ACHE 239/4885HTR1A 4450/4885
US-20070010489-A1 Cellular accumulation of phosphonate analogs of hiv protease inhibitor compounds PPA1, PNP, PPME1 MAOB 3036/4885ACHE 1764/4885HTR1A 4530/4885

“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.