SCHEMBL2080830

SCHEMBL2080830

CCCN(C[C@@H](O)c1ccc(N)nc1)[C@@H](C)CO

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 4/20 0.36
KCNJ5 P48544 1/20 0.36
KCNJ3 P48549 1/20 0.36
SCN5A Q14524 1/20 0.36
KCND3 Q9UK17 1/20 0.36
CYP51A1 Q16850 5/20 0.33
ADRB3 P13945 4/20 0.32
ADRB1 P08588 3/20 0.32
ADRB2 P07550 1/20 0.32
CPB2 Q96IY4 1/20 0.30
AOC3 Q16853 3/20 0.30

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
SCHEMBL1841859 1.00 KCNA5 (0.36) KCNA5KCNJ5KCNJ3SCN5AKCND3
SCHEMBL4239507 0.93 ADRB1 (0.31) KCNA5KCNJ5KCNJ3SCN5AKCND3
SCHEMBL4239510 0.93 ADRB1 (0.31) KCNA5KCNJ5KCNJ3SCN5AKCND3
SCHEMBL4250387 0.90 ADRB3 (0.33) ADRB3ADRB1ADRB2CPB2AOC3
SCHEMBL12662932 0.88 KCNA5 (0.34) KCNA5KCNJ5KCNJ3SCN5AKCND3
SCHEMBL14149054 0.82 KCNA5 (0.34) KCNA5KCNJ5KCNJ3SCN5AKCND3
SCHEMBL4239457 0.80 NOS3 (0.33) KCNA5KCNJ5KCNJ3SCN5AKCND3
SCHEMBL1842940 0.80 KDM4E (0.34) KCNA5KCNJ5KCNJ3SCN5AKCND3
SCHEMBL1842366 0.80 KDM4E (0.34) KCNA5KCNJ5KCNJ3SCN5AKCND3
SCHEMBL1842364 0.80 KDM4E (0.34) KCNA5KCNJ5KCNJ3SCN5AKCND3

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-7902188-B2 Morpholine dopamine agonists PFIZER INC. (US) 2011-03-08 US disclosed
EP-1572214-B1 MORPHOLINE DERIVATIVES FOR USE AS DOPAMINE AGONISTS IN THE TREATMENT OF I.A. SEXUAL DYSFUNCTION PFIZER LTD (GB) 2010-03-17 EP disclosed
US-20090318451-A1 MORPHOLINE DOPAMINE AGONISTS FOR THE TREATMENT OF PAIN PFIZER INC. 2009-12-24 US disclosed
US-20090270384-A1 MORPHOLINE DOPAMINE AGONISTS PFIZER INC 2009-10-29 US disclosed
EP-2104503-A1 MORPHOLINE DOPAMINE AGONISTS FOR THE TREATMENT OF PAIN Pfizer Limited (GB) 2009-09-30 EP disclosed
US-7576081-B2 Central nervous system disorders ; sexual disorders; hypotensive agents; analgesics; neurodegenerative disease; obesity; Alzheimer's disease; obsessive compulsive disorders; antidepressants PFIZER INC. (US) 2009-08-18 US disclosed
WO-2008087512-A1 MORPHOLINE DOPAMINE AGONISTS FOR THE TREATMENT OF PAIN PFIZER LIMITED (GB) 2008-07-24 WO disclosed
US-7323462-B2 Morpholine dopamine agonists PFIZER INC. (US) 2008-01-29 US disclosed
US-20060235016-A1 Morpholine Dopamine Agonists PFIZER INC 2006-10-19 US disclosed
EP-1572214-A1 MORPHOLINE DERIVATIVES FOR USE AS DOPAMINE AGONISTS IN THE TREATMENT OF I.A. SEXUAL DYSFUNCTION Pfizer Limited (GB) 2005-09-14 EP disclosed
US-20040259874-A1 Morpholine dopamine agonists PFIZER INC. 2004-12-23 US disclosed
WO-2004052372-A1 MORPHOLINE DERIVATIVES FOR USE AS DOPAMINE AGONISTS IN THE TREATMENT OF I.A. SEXUAL DYSFUNCTION PFIZER LIMITED (GB) 2004-06-24 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 (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-20060235016-A1 Morpholine Dopamine Agonists DBH, OPRM1, ADRA2B KCNA5 741/4885KCNJ5 1562/4885KCNJ3 1391/4885
US-20040259874-A1 Morpholine dopamine agonists DBH, OPRM1, OPRD1 KCNA5 427/4885KCNJ5 1674/4885KCNJ3 1536/4885
US-20090270384-A1 MORPHOLINE DOPAMINE AGONISTS DBH, OPRM1, CHRM1 KCNA5 800/4885KCNJ5 1683/4885KCNJ3 1482/4885
US-20090318451-A1 MORPHOLINE DOPAMINE AGONISTS FOR THE TREATMENT OF PAIN OPRL1, OPRD1, OPRK1 KCNA5 311/4885KCNJ5 555/4885KCNJ3 668/4885

“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.