SCHEMBL679865

SCHEMBL679865

CN(c1ccccc1)[C@@H](CO)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.41
GLA P06280 1/20 0.41
TSHR P16473 1/20 0.41
SLC6A2 P23975 3/20 0.41
SLC6A4 P31645 3/20 0.41
KMT2A Q03164 4/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
TP53 P04637 2/20 0.40
LMNA P02545 1/20 0.40
SMPD2 O60906 1/20 0.39
NPSR1 Q6W5P4 2/20 0.39
MEN1 O00255 2/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
HTT P42858 2/20 0.38
CHRNB2 P17787 1/20 0.37
CHRNB4 P30926 1/20 0.37
CHRNA3 P32297 1/20 0.37
CHRNA4 P43681 1/20 0.37

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
SCHEMBL4564576 1.00 ALDH1A1 (0.41) ALDH1A1GLATSHRSLC6A2SLC6A4
SCHEMBL27820012 1.00 ALDH1A1 (0.41) ALDH1A1GLATSHRSLC6A2SLC6A4
SCHEMBL430659 0.85 ALDH1A1 (0.46) ALDH1A1GLATSHRSLC6A2SLC6A4
SCHEMBL430660 0.85 ALDH1A1 (0.46) ALDH1A1GLATSHRSLC6A2SLC6A4
SCHEMBL28130586 0.83 SLC6A2 (0.51) ALDH1A1GLATSHRSLC6A2SLC6A4
SCHEMBL27761276 0.83 ALDH1A1 (0.45) ALDH1A1GLATSHRSLC6A2SLC6A4
SCHEMBL11042753 0.83 CPA3 (0.42) ALDH1A1GLATSHRSLC6A2SLC6A4
SCHEMBL4964528 0.81 CYP1A2 (0.50) ALDH1A1KMT2AMEN1CYP2C9CYP2C19
SCHEMBL3260043 0.81 ALDH1A1 (0.39) ALDH1A1GLATSHRKMT2ASMN1; SMN2
SCHEMBL3342746 0.81 NR4A2 (0.48) ALDH1A1GLATSHRSLC6A2SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11078364-B2 Curable composition and use of same OSAKA GAS CHEMICALS CO., LTD. (JP) 2021-08-03 US disclosed
US-20210087394-A1 CURABLE COMPOSITION AND USE OF SAME OSAKA GAS CHEMICALS CO., LTD. (JP) 2021-03-25 US disclosed
EP-3674375-A1 CURABLE COMPOSITION AND USE OF SAME Osaka Gas Chemicals Co., Ltd. (JP) 2020-07-01 EP disclosed
EP-2809315-A1 IMPROVING POSTURAL STABILITY ADMINISTERING DROXIDOPA Lundbeck Na Ltd (US) 2014-12-10 EP disclosed
EP-2134335-B1 DROXIDOPA AND PHARMACEUTICAL COMPOSITION THEREOF FOR THE TREATMENT OF FIBROMYALGIA CHELSEA THERAPEUTICS INC (US) 2014-04-23 EP disclosed
WO-2013116325-A1 IMPROVING POSTURAL STABILITY ADMINISTERING DROXIDOPA CHELSEA THERAPEUTICS, INC. (US) 2013-08-08 WO disclosed
US-20130197090-A1 POSTURAL STABILITY AND INCIDENT FUNCTIONS IN PATIENTS CHELSEA THERAPEUTICS, INC. (US) 2013-08-01 US disclosed
US-20130143868-A1 DROXIDOPA AND PHARMACEUTICAL COMPOSITION THEREOF FOR THE TREATMENT OF MOOD DISORDERS, SLEEP DISORDERS, OR ATTENTION DEFICIT DISORDERS CHELSEA THERAPEUTICS, INC. (US) 2013-06-06 US disclosed
US-20130116286-A1 DROXIDOPA AND PHARMACEUTICAL COMPOSITION THEREOF FOR THE TREATMENT OF NEURALLY MEDIATED HYPOTENSION CHELSEA THERAPEUTICS, INC. (US) 2013-05-09 US disclosed
US-8383681-B2 Droxidopa and pharmaceutical composition thereof for the treatment of mood disorders, sleep disorders or attention deficit disorders CHELSEA THERAPEUTICS, INC. (US) 2013-02-26 US disclosed
WO-2008112773-A2 DROXIDOPA AND PHARMACEUTICAL COMPOSITION THEREOF FOR THE TREATMENT OF NEURALLY MEDIATED HYPOTENSION CHELSEA THERAPEUTICS, INC. (US) 2008-09-18 WO disclosed
US-20080227830-A1 DROXIDOPA AND PHARMACEUTICAL COMPOSITION THEREOF FOR THE TREATMENT OF NEURALLY MEDIATED HYPOTENSION CHELSEA THERAPEUTICS, INC. 2008-09-18 US disclosed
US-20080221170-A1 DROXIDOPA AND PHARMACEUTICAL COMPOSITION THEREOF FOR THE TREATMENT OF FIBROMYALGIA CHELSEA THERAPEUTICS, INC. 2008-09-11 US disclosed
US-20080057228-A1 Anti-glare film and liquid crystal display apparatus SHARP CORPORATION 2008-03-06 US disclosed
EP-0744955-A4 CYCLIC HEPTAPEPTIDE ANTI-INFLAMMATORY AGENT UNIV CALIFORNIA (US) 1998-12-16 EP disclosed
EP-0744955-A1 CYCLIC HEPTAPEPTIDE ANTI-INFLAMMATORY AGENT THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1996-12-04 EP disclosed
WO-1995022339-A1 CYCLIC HEPTAPEPTIDE ANTI-INFLAMMATORY AGENT THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1995-08-24 WO disclosed
US-5346828-A Stereoisomeric enrichment of 2-amino-3-hydroxy-3-phenylpropionic acids using d-threonine aldolase CELGENE CORPORATION (US) 1994-09-13 US disclosed
EP-0218440-A3 N-METHYLPHENYLSERINE ALKYL ESTER DERIVATIVES AND USES THEREOF ZAIDAN HOJIN BISEIBUTSU KAGAKU KENKYU KAI (JP) 1988-01-13 EP disclosed
EP-0218440-A2 N-Methylphenylserine alkyl ester derivatives and uses thereof ZAIDAN HOJIN BISEIBUTSU KAGAKU KENKYU KAI (JP) 1987-04-15 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-20130197090-A1 POSTURAL STABILITY AND INCIDENT FUNCTIONS IN PATIENTS PARK7, SNCA, COMT ALDH1A1 2053/4885GLA 2722/4885TSHR 1294/4885
US-20080227830-A1 DROXIDOPA AND PHARMACEUTICAL COMPOSITION THEREOF FOR THE TREATMENT OF NEURALLY MEDIATED HYPOTENSION ADRA1D, QDPR, ADRA2C ALDH1A1 1814/4885GLA 3704/4885TSHR 2825/4885
US-20130116286-A1 DROXIDOPA AND PHARMACEUTICAL COMPOSITION THEREOF FOR THE TREATMENT OF NEURALLY MEDIATED HYPOTENSION ADRA1D, QDPR, ADRA2C ALDH1A1 1814/4885GLA 3704/4885TSHR 2825/4885
US-20080221170-A1 DROXIDOPA AND PHARMACEUTICAL COMPOSITION THEREOF FOR THE TREATMENT OF FIBROMYALGIA HTR5A, FAAH, MTNR1B ALDH1A1 1858/4885GLA 2264/4885TSHR 2825/4885
US-20130143868-A1 DROXIDOPA AND PHARMACEUTICAL COMPOSITION THEREOF FOR THE TREATMENT OF MOOD DISORDERS, SLEEP DISORDERS, OR ATTENTION DEFICIT DISORDERS COMT, DRD2, TPH1 ALDH1A1 401/4885GLA 2038/4885TSHR 2986/4885

“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.