SCHEMBL12799366

SCHEMBL12799366

O=C(OCc1ccccc1)[C@@H](CO)N(Cc1ccccc1)Cc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.47
KMT2A Q03164 2/20 0.46
TDP1 Q9NUW8 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
MAPK1 P28482 1/20 0.46
SLC6A2 P23975 1/20 0.46
SLC6A3 Q01959 1/20 0.46
EPOR P19235 5/20 0.45
GAA P10253 1/20 0.43
TSHR P16473 1/20 0.43
NPBWR1 P48145 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
MCHR1 Q99705 1/20 0.43
LMNA P02545 3/20 0.42
HCAR2 Q8TDS4 1/20 0.42
CTRB1 P17538 2/20 0.42
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41
POLB P06746 1/20 0.40
HSD17B10 Q99714 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
SCHEMBL15448254 1.00 ALDH1A1 (0.47) ALDH1A1KMT2ATDP1L3MBTL1MAPK1
SCHEMBL10315706 1.00 ALDH1A1 (0.47) ALDH1A1KMT2ATDP1L3MBTL1MAPK1
SCHEMBL20858214 0.88 EPOR (0.49) ALDH1A1KMT2ATDP1L3MBTL1MAPK1
SCHEMBL2059549 0.87 CTRB1 (0.49) ALDH1A1KMT2ATDP1L3MBTL1MAPK1
SCHEMBL7438541 0.87 CTRB1 (0.49) ALDH1A1KMT2ATDP1L3MBTL1MAPK1
SCHEMBL12619862 0.86 ALDH1A1 (0.45) ALDH1A1KMT2ATDP1L3MBTL1MAPK1
SCHEMBL842166 0.86 ALDH1A1 (0.50) ALDH1A1KMT2ATDP1L3MBTL1MAPK1
SCHEMBL13064940 0.86 L3MBTL1 (0.52) ALDH1A1KMT2AL3MBTL1EPORGAA
SCHEMBL824998 0.86 ALDH1A1 (0.50) ALDH1A1KMT2ATDP1L3MBTL1MAPK1
SCHEMBL634623 0.86 ALDH1A1 (0.50) ALDH1A1KMT2ATDP1L3MBTL1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140018549-A1 USE OF D-SERINE DERIVATIVES FOR THE TREATMENT OF ANXIETY DISORDERS NPS PHARMACEUTICALS, INC. (US) 2014-01-16 US disclosed
US-20140018549-A1 USE OF D-SERINE DERIVATIVES FOR THE TREATMENT OF ANXIETY DISORDERS NPS PHARMACEUTICALS, INC. (US) 2014-01-16 US disclosed
US-8450336-B2 Use of D-serine derivatives for the treatment of anxiety disorders NPS PHARMACEUTICALS, INC (US) 2013-05-28 US disclosed
US-8450336-B2 Use of D-serine derivatives for the treatment of anxiety disorders NPS PHARMACEUTICALS, INC (US) 2013-05-28 US disclosed
US-7902401-B2 Fluorinated compounds NPS PHARMACEUTICALS, INC. (US) 2011-03-08 US disclosed
US-7902401-B2 Fluorinated compounds NPS PHARMACEUTICALS, INC. (US) 2011-03-08 US disclosed
US-20100016403-A1 USE OF D-SERINE DERIVATIVES FOR THE TREATMENT OF ANXIETY DISORDERS NPS PHARMACEUTICALS, INC. 2010-01-21 US disclosed
US-20100016403-A1 USE OF D-SERINE DERIVATIVES FOR THE TREATMENT OF ANXIETY DISORDERS NPS PHARMACEUTICALS, INC. 2010-01-21 US disclosed
US-20090005433-A1 Fluorinated Compounds NPS PHARMACEUTICALS, INC. 2009-01-01 US disclosed
US-20090005433-A1 Fluorinated Compounds NPS PHARMACEUTICALS, INC. 2009-01-01 US disclosed
WO-2008070994-A1 USE OF D-SERINE DERIVATIVES FOR THE TREATMENT OF ANXIETY DISORDERS NPS PHARMACEUTICALS, INC. (CA) 2008-06-19 WO disclosed
WO-2007076306-A1 FLUORINATED COMPOUNDS NPS PHARMACEUTICALS, INC. (US) 2007-07-05 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-20090005433-A1 Fluorinated Compounds CNR1, NPFFR1, AFF1 ALDH1A1 1176/4885KMT2A 1301/4885TDP1 208/4885
US-20140018549-A1 USE OF D-SERINE DERIVATIVES FOR THE TREATMENT OF ANXIETY DISORDERS OXSR1, SRR, GLRB ALDH1A1 1332/4885KMT2A 4045/4885TDP1 4094/4885
US-20100016403-A1 USE OF D-SERINE DERIVATIVES FOR THE TREATMENT OF ANXIETY DISORDERS OXSR1, SRR, GLRB ALDH1A1 1317/4885KMT2A 4073/4885TDP1 4098/4885

“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.