SCHEMBL2083301

SCHEMBL2083301

CCCNCC(O)c1ccc(-n2c(C)ccc2C)nc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CYP3A4 P08684 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
ADRB3 P13945 11/20 0.34
ADRB1 P08588 9/20 0.34
ADRB2 P07550 7/20 0.34
ABCB1 P08183 2/20 0.34
LMNA P02545 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
SLC22A1 O15245 1/20 0.33
CHRM2 P08172 1/20 0.33
CHRM1 P11229 1/20 0.33
TSHR P16473 1/20 0.33
NFKB1 P19838 1/20 0.33
SLC6A4 P31645 1/20 0.33
OPRM1 P35372 1/20 0.33
SLC6A3 Q01959 1/20 0.33

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
SCHEMBL4670053 0.82 AOC3 (0.44) ALDH1A1KDM4EL3MBTL1ADRB3LMNA
SCHEMBL2086312 0.82 KDM4E (0.45) ALDH1A1KDM4EL3MBTL1LMNA
SCHEMBL4542370 0.81 LMNA (0.45) ALDH1A1KDM4EL3MBTL1CYP1A2CYP2D6
SCHEMBL4542365 0.81 LMNA (0.45) ALDH1A1KDM4EL3MBTL1CYP1A2CYP2D6
SCHEMBL4614360 0.79 KDM4E (0.45) ALDH1A1KDM4EL3MBTL1CYP3A4ADRB3
SCHEMBL5727824 0.79 KDM4E (0.45) ALDH1A1KDM4EL3MBTL1CYP3A4ADRB3
SCHEMBL4239577 0.79 KDM4E (0.36) ALDH1A1KDM4EL3MBTL1CYP3A4CYP1A2
SCHEMBL4239581 0.79 KDM4E (0.36) ALDH1A1KDM4EL3MBTL1CYP3A4CYP1A2
SCHEMBL1841051 0.78 KDM4E (0.38) ALDH1A1KDM4EL3MBTL1CYP3A4CYP1A2
SCHEMBL1843192 0.78 KDM4E (0.38) ALDH1A1KDM4EL3MBTL1CYP3A4CYP1A2

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 24 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
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
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
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 ALDH1A1 1143/4885KDM4E 3956/4885L3MBTL1 2152/4885
US-20040259874-A1 Morpholine dopamine agonists DBH, OPRM1, OPRD1 ALDH1A1 957/4885KDM4E 4218/4885L3MBTL1 2418/4885
US-20090270384-A1 MORPHOLINE DOPAMINE AGONISTS DBH, OPRM1, CHRM1 ALDH1A1 1146/4885KDM4E 3890/4885L3MBTL1 2207/4885
US-20090318451-A1 MORPHOLINE DOPAMINE AGONISTS FOR THE TREATMENT OF PAIN OPRL1, OPRD1, OPRK1 ALDH1A1 528/4885KDM4E 3456/4885L3MBTL1 335/4885
US-20060052435-A1 Selective dopamin d3 receptor agonists for the treatment of sexual dysfunction DRD3, ADRB3, DRD2 ALDH1A1 2526/4885KDM4E 4333/4885L3MBTL1 3426/4885

“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.