SCHEMBL2080308

SCHEMBL2080308

CCCN1CCO[C@H](c2cc(O)cc(O)c2)C1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 13/20 1.00
DRD2 P14416 3/20 0.51
SIGMAR1 Q99720 3/20 0.46
DRD4 P21917 2/20 0.46
NFKB1 P19838 1/20 0.46
PRCP P42785 1/20 0.46
EBP Q15125 1/20 0.46

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
SCHEMBL2081330 1.00 DRD3 (1.00) DRD3DRD2SIGMAR1DRD4NFKB1
SCHEMBL2080310 1.00 DRD3 (1.00) DRD3DRD2SIGMAR1DRD4NFKB1
SCHEMBL2078437 0.86 DRD3 (1.00) DRD3DRD2SIGMAR1DRD4NFKB1
SCHEMBL323406 0.86 DRD3 (1.00) DRD3DRD2SIGMAR1DRD4NFKB1
SCHEMBL2080515 0.86 DRD3 (1.00) DRD3DRD2SIGMAR1DRD4NFKB1
SCHEMBL29389668 0.86 DRD3 (1.00) DRD3DRD2SIGMAR1DRD4NFKB1
SCHEMBL969955 0.85 DRD3 (0.74) DRD3DRD2
Hydrochloric Acid SCHEMBL2081049 0.85 DRD3 (0.97) DRD3DRD2SIGMAR1DRD4NFKB1
Hydrochloric Acid SCHEMBL5874342 0.85 DRD3 (0.97) DRD3DRD2SIGMAR1DRD4NFKB1
Hydrochloric Acid SCHEMBL2081050 0.85 DRD3 (0.97) DRD3DRD2SIGMAR1DRD4NFKB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
US-20090318451-A1 MORPHOLINE DOPAMINE AGONISTS FOR THE TREATMENT OF PAIN PFIZER INC. 2009-12-24 US claimed
EP-2104503-A1 MORPHOLINE DOPAMINE AGONISTS FOR THE TREATMENT OF PAIN Pfizer Limited (GB) 2009-09-30 EP claimed
WO-2008087512-A1 MORPHOLINE DOPAMINE AGONISTS FOR THE TREATMENT OF PAIN PFIZER LIMITED (GB) 2008-07-24 WO claimed
US-20060235016-A1 Morpholine Dopamine Agonists PFIZER INC 2006-10-19 US claimed
US-20040259874-A1 Morpholine dopamine agonists PFIZER INC. 2004-12-23 US claimed
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
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
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

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 DRD3 19/4885DRD2 9/4885SIGMAR1 41/4885
US-20040259874-A1 Morpholine dopamine agonists DBH, OPRM1, OPRD1 DRD3 35/4885DRD2 16/4885SIGMAR1 48/4885
US-20090270384-A1 MORPHOLINE DOPAMINE AGONISTS DBH, OPRM1, CHRM1 DRD3 19/4885DRD2 10/4885SIGMAR1 43/4885
US-20090318451-A1 MORPHOLINE DOPAMINE AGONISTS FOR THE TREATMENT OF PAIN OPRL1, OPRD1, OPRK1 DRD3 26/4885DRD2 13/4885SIGMAR1 35/4885
US-20060052435-A1 Selective dopamin d3 receptor agonists for the treatment of sexual dysfunction DRD3, ADRB3, DRD2 DRD3 1/4885DRD2 3/4885SIGMAR1 627/4885

“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.