SCHEMBL2080508

SCHEMBL2080508

CCCN1CC(c2ccc(Cl)c(OC)c2)OCC1=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 1/20 0.38
ADAMTS5 Q9UNA0 1/20 0.38
PDE4A P27815 2/20 0.38
PDE4B Q07343 2/20 0.38
PDE4C Q08493 2/20 0.38
PDE4D Q08499 2/20 0.38
HTR2C P28335 6/20 0.36
HTR2B P41595 5/20 0.36
HTR2A P28223 5/20 0.36
ALDH1A1 P00352 2/20 0.35
HTR1A P08908 1/20 0.35
HTR1D P28221 1/20 0.35
HTR1B P28222 1/20 0.35
HTR1E P28566 1/20 0.35
HTR7 P34969 1/20 0.35
HTR3A P46098 1/20 0.35
HTR5A P47898 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MDM2 Q00987 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.34

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
SCHEMBL2080888 0.86 DRD3 (0.42) PDE4APDE4BPDE4CPDE4DHTR2C
SCHEMBL2081044 0.79 DRD2 (0.51) GRM2
SCHEMBL2078699 0.78 DRD2 (0.38) ALDH1A1SMN1; SMN2
SCHEMBL2078759 0.77 DRD3 (0.58)
SCHEMBL7913406 0.76 PDE4A (0.53) PDE4APDE4BPDE4CPDE4D
SCHEMBL15484496 0.74 KMT2A (0.44) ALDH1A1SMN1; SMN2
SCHEMBL7919822 0.73 PDE4A (0.60) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL7914436 0.73 PDE4A (0.54) PDE4APDE4BPDE4CPDE4D
SCHEMBL1435736 0.71 PDE4A (0.58) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL7919768 0.70 PDE4A (0.46) PDE4APDE4BPDE4CPDE4D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7902188-B2 Morpholine dopamine agonists PFIZER INC. (US) 2011-03-08 US disclosed
US-7902188-B2 Morpholine dopamine agonists PFIZER INC. (US) 2011-03-08 US disclosed
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-20090318451-A1 MORPHOLINE DOPAMINE AGONISTS FOR THE TREATMENT OF PAIN PFIZER INC. 2009-12-24 US 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
US-20090270384-A1 MORPHOLINE DOPAMINE AGONISTS PFIZER INC 2009-10-29 US disclosed
US-20090270384-A1 MORPHOLINE DOPAMINE AGONISTS PFIZER INC 2009-10-29 US 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
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-7323462-B2 Morpholine dopamine agonists PFIZER INC. (US) 2008-01-29 US 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 ADAM17 4141/4885ADAMTS5 4181/4885PDE4A 787/4885
US-20040259874-A1 Morpholine dopamine agonists DBH, OPRM1, OPRD1 ADAM17 4423/4885ADAMTS5 4578/4885PDE4A 1372/4885
US-20090270384-A1 MORPHOLINE DOPAMINE AGONISTS DBH, OPRM1, CHRM1 ADAM17 4015/4885ADAMTS5 4136/4885PDE4A 879/4885
US-20090318451-A1 MORPHOLINE DOPAMINE AGONISTS FOR THE TREATMENT OF PAIN OPRL1, OPRD1, OPRK1 ADAM17 4080/4885ADAMTS5 2976/4885PDE4A 155/4885

“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.