SCHEMBL5183233

SCHEMBL5183233

O=C(O)C(c1ccc(F)cc1)N1CCOCC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.55
LMNA P02545 3/20 0.51
GAA P10253 1/20 0.50
KDM4E B2RXH2 1/20 0.50
CYP3A4 P08684 2/20 0.49
CYP2C19 P33261 2/20 0.49
TSHR P16473 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
HTT P42858 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
ACHE P22303 1/20 0.49
PKM P14618 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.46
AKR1C3 P42330 1/20 0.46
P2RX7 Q99572 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
P4HB P07237 1/20 0.46
MITF O75030 1/20 0.46
TP53 P04637 1/20 0.46

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
SCHEMBL11928250 0.87 ALDH1A1 (0.49) ALDH1A1KDM4ECYP3A4CYP2C19TSHR
SCHEMBL5182185 0.86 LMNA (0.69) ALDH1A1LMNAGAATSHRACHE
Hydrochloric Acid SCHEMBL8842731 0.86 ALDH1A1 (0.51) ALDH1A1LMNAKDM4ECYP3A4CYP2C19
SCHEMBL2171115 0.85 GAA (0.70) ALDH1A1LMNAGAATSHRACHE
SCHEMBL627906 0.84 ALDH1A1 (0.73) ALDH1A1LMNAGAACYP3A4CYP2C19
SCHEMBL1706030 0.84 ALDH1A1 (0.73) ALDH1A1LMNAGAACYP3A4CYP2C19
Hydrochloric Acid SCHEMBL15063230 0.83 GAA (0.73) ALDH1A1LMNAGAAKDM4ETSHR
SCHEMBL28261688 0.83 ALDH1A1 (0.64) ALDH1A1LMNAGAACYP3A4CYP2C19
SCHEMBL3236859 0.83 ALDH1A1 (0.55) ALDH1A1LMNAGAACYP3A4CYP2C19
Hydrochloric Acid SCHEMBL15063255 0.83 ALDH1A1 (0.77) ALDH1A1LMNAGAACYP3A4CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170172957-A1 D-SERINE TRANSPORTER INHIBITORS AS PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS ALLERGAN, INC. 2017-06-22 US disclosed
EP-2714029-B1 D-SERINE TRANSPORTER INHIBITORS AS PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS ALLERGAN INC (US) 2017-04-12 EP disclosed
US-9415031-B2 D-serine transporter inhibitors as pharmaceutical compositions for the treatment of visual system disorders ALLERGAN, INC. (US) 2016-08-16 US disclosed
US-20140221453-A1 D-SERINE TRANSPORTER INHIBITORS AS PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF VISUAL SYSTEM DISORDERS ALLERGAN, INC. (US) 2014-08-07 US disclosed
US-8741955-B2 D-serine transporter inhibitors as pharmaceutical compositions for the treatment of central nervous system disorders ALLERGAN, INC. (US) 2014-06-03 US disclosed
US-8735451-B2 D-serine transporter inhibitors as pharmaceutical compositions for the treatment of visual system disorders ALLERGAN, INC. (US) 2014-05-27 US disclosed
US-20120329851-A1 D-SERINE TRANSPORTER INHIBITORS AS PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS ALLERGAN, INC. 2012-12-27 US disclosed
WO-2012166533-A1 D-SERINE TRANSPORTER INHIBITORS AS PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF VISUAL SYSTEM DISORDERS ALLERGAN, INC. (US) 2012-12-06 WO disclosed
WO-2012166544-A1 D-SERINE TRANSPORTER INHIBITORS AS PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS ALLERGAN, INC. (US) 2012-12-06 WO disclosed
US-20120301729-A1 TWO-COMPONENT ADHESIVE OR SEALANT COMPOSITION COMPRISING ACCELERATOR COMPONENT SIKA TECHNOLOGY AG (CH) 2012-11-29 US disclosed
US-20120302621-A1 D-SERINE TRANSPORTER INHIBITORS AS PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF VISUAL SYSTEM DISORDERS ALLERGAN, INC. 2012-11-29 US disclosed
US-20070203139-A1 Aryl Glycinamide Derivatives And Their Use As Nk1 Antagonists And Serotonin Reuptake Inhibitors ASTRAZENECA AB (SE) 2007-08-30 US disclosed
US-20070203139-A1 Aryl Glycinamide Derivatives And Their Use As Nk1 Antagonists And Serotonin Reuptake Inhibitors ASTRAZENECA AB (SE) 2007-08-30 US disclosed
US-20070203139-A1 Aryl Glycinamide Derivatives And Their Use As Nk1 Antagonists And Serotonin Reuptake Inhibitors ASTRAZENECA AB (SE) 2007-08-30 US disclosed
EP-1740553-A1 ARYL GLYCINAMIDE DERIVATIVES AND THEIR USE AS NK1 ANTAGONISTS AND SEROTONIN REUPTAKE INHIBITHORS AstraZeneca AB (SE) 2007-01-10 EP disclosed
WO-2005100325-A1 ARYL GLYCINAMIDE DERIVATIVES AND THEIR USE AS NK1 ANTAGONISTS AND SEROTONIN REUPTAKE INHIBITHORS ASTRAZENECA AB (SE) 2005-10-27 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 (1 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-20070203139-A1 Aryl Glycinamide Derivatives And Their Use As Nk1 Antagonists And Serotonin Reuptake Inhibitors TPH1, NTSR1, HTR1D ALDH1A1 254/4885LMNA 1764/4885GAA 204/4885

“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.