SCHEMBL2078699

SCHEMBL2078699

CCCN1CC(c2cc(OC)cc(OC)c2)OCC1=O

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 3/20 0.38
KDM2B Q8NHM5 1/20 0.38
DRD3 P35462 2/20 0.36
PABPC1 P11940 1/20 0.36
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
TSHR P16473 1/20 0.34
GAA P10253 1/20 0.34
FSHR P23945 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
CYP19A1 P11511 1/20 0.32
ADORA2A P29274 1/20 0.32
ADORA2B P29275 1/20 0.32
PTGS1 P23219 1/20 0.32
PTGS2 P35354 1/20 0.32
CYP1A1 P04798 1/20 0.31

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
SCHEMBL2081044 0.88 DRD2 (0.51) DRD2KDM2BDRD3
SCHEMBL2080508 0.78 ADAM17 (0.38) ALDH1A1SMN1; SMN2
SCHEMBL2080888 0.78 DRD3 (0.42) DRD3ALDH1A1
SCHEMBL2081346 0.73 DRD3 (0.67) DRD2KDM2BDRD3PABPC1
SCHEMBL2081341 0.73 DRD3 (0.67) DRD2KDM2BDRD3PABPC1
SCHEMBL3160475 0.72 GRM2 (0.47)
SCHEMBL16465000 0.71 KMT2A (0.49) TSHR
SCHEMBL17950821 0.70 PDE8B (0.40)
SCHEMBL15484496 0.70 KMT2A (0.44) ALDH1A1SMN1; SMN2
SCHEMBL7913406 0.68 PDE4A (0.53)

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 26 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
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
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
US-20060052435-A1 Selective dopamin d3 receptor agonists for the treatment of sexual dysfunction VAN DER GRAAF PIETER H 2006-03-09 US disclosed
US-20040259874-A1 Morpholine dopamine agonists PFIZER INC. 2004-12-23 US disclosed
EP-1463508-A1 SELECTIVE DOPAMINE D3 RECEPTOR AGONISTS FOR THE TREATMENT OF SEXUAL DYSFUNCTION Pfizer Limited (GB) 2004-10-06 EP disclosed
WO-2003051370-A1 SELECTIVE DOPAMINE D3 RECEPTOR AGONISTS FOR THE TREATMENT OF SEXUAL DYSFUNCTION PFIZER LIMITED (GB) 2003-06-26 WO disclosed
WO-2003051370-A1 SELECTIVE DOPAMINE D3 RECEPTOR AGONISTS FOR THE TREATMENT OF SEXUAL DYSFUNCTION PFIZER LIMITED (GB) 2003-06-26 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 (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-20060235016-A1 Morpholine Dopamine Agonists DBH, OPRM1, ADRA2B DRD2 9/4885KDM2B 1474/4885DRD3 19/4885
US-20040259874-A1 Morpholine dopamine agonists DBH, OPRM1, OPRD1 DRD2 16/4885KDM2B 2034/4885DRD3 35/4885
US-20090270384-A1 MORPHOLINE DOPAMINE AGONISTS DBH, OPRM1, CHRM1 DRD2 10/4885KDM2B 1423/4885DRD3 19/4885
US-20090318451-A1 MORPHOLINE DOPAMINE AGONISTS FOR THE TREATMENT OF PAIN OPRL1, OPRD1, OPRK1 DRD2 13/4885KDM2B 1719/4885DRD3 26/4885
US-20060052435-A1 Selective dopamin d3 receptor agonists for the treatment of sexual dysfunction DRD3, ADRB3, DRD2 DRD2 3/4885KDM2B 4260/4885DRD3 1/4885

“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.