Sugi Predict

Sugi Predict / Compounds / SCHEMBL2082408

SCHEMBL2082408

SCHEMBL2082408

COc1cc(OC)cc(C(O)CN)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADRA2A P08913 2/20 0.53
▸ ADRA1A P35348 2/20 0.53
▸ NFKB1 P19838 2/20 0.51
▸ BLM P54132 3/20 0.50
▸ PMP22 Q01453 1/20 0.50
▸ ALDH1A1 P00352 1/20 0.46
▸ AOC3 Q16853 3/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ TAAR1 Q96RJ0 3/20 0.42
▸ APEX1 P27695 3/20 0.42
▸ TDP1 Q9NUW8 3/20 0.42
▸ MAPT P10636 2/20 0.42
▸ HPGD P15428 2/20 0.42
▸ RECQL P46063 2/20 0.42
▸ KDM4E B2RXH2 2/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ ADRB2 P07550 1/20 0.42
▸ ADRB1 P08588 1/20 0.42
▸ ADORA3 P0DMS8 1/20 0.42

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
SCHEMBL7148668 1.00 ADRA2A (0.53) ADRA2AADRA1ANFKB1BLMPMP22
SCHEMBL31143084 1.00 ADRA2A (0.53) ADRA2AADRA1ANFKB1BLMPMP22
SCHEMBL21674419 0.91 ADRA2A (0.46) ADRA2AADRA1ANFKB1BLMPMP22
SCHEMBL7151251 0.89 NFKB1 (0.50) ADRA2AADRA1ANFKB1BLMPMP22
SCHEMBL25262923 0.81 NFKB1 (0.50) ADRA2AADRA1ANFKB1BLMPMP22
SCHEMBL1445942 0.81 AOC3 (0.69) ADRA2AADRA1ANFKB1BLMPMP22
SCHEMBL7153016 0.81 AOC3 (0.69) ADRA2AADRA1ANFKB1BLMPMP22
SCHEMBL30527692 0.81 NFKB1 (0.50) ADRA2AADRA1ANFKB1BLMPMP22
SCHEMBL9639193 0.81 AOC3 (0.69) ADRA2AADRA1ANFKB1BLMPMP22
SCHEMBL7356128 0.81 AOC3 (0.41) ADRA2AADRA1ANFKB1BLMPMP22

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2765858-B1 MINERALOCORTICOID RECEPTOR ANTAGONISTS MERCK SHARP & DOHME (US) 2016-08-03 — — EP disclosed
US-9085568-B2 Mineralocorticoid receptor antagonists MERCK SHARP & DOHME CORP. (US) 2015-07-21 — — US disclosed
US-20140275133-A1 MINERALOCORTICOID RECEPTOR ANTAGONISTS MERCK SHARP & DOHME LLC 2014-09-18 — — US disclosed
EP-2765858-A1 MINERALOCORTICOID RECEPTOR ANTAGONISTS Merck Sharp & Dohme Corp. (US) 2014-08-20 — — EP disclosed
WO-2013055608-A1 MINERALOCORTICOID RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2013-04-18 — — WO disclosed
US-20130005710-A1 AMINOPYRIDINE DERIVATIVE TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-01-03 — — US disclosed
EP-2502909-A1 AMINOPYRIDINE DERIVATIVE Takeda Pharmaceutical Company Limited (JP) 2012-09-26 — — EP 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
US-7902188-B2 Morpholine dopamine agonists PFIZER INC. (US) 2011-03-08 — — 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
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
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-20130005710-A1 AMINOPYRIDINE DERIVATIVE DCX, NR0B1, NR4A1 ADRA2A 199/4885ADRA1A 52/4885NFKB1 1409/4885
US-20060235016-A1 Morpholine Dopamine Agonists DBH, OPRM1, ADRA2B ADRA2A 30/4885ADRA1A 29/4885NFKB1 3081/4885
US-20040259874-A1 Morpholine dopamine agonists DBH, OPRM1, OPRD1 ADRA2A 38/4885ADRA1A 26/4885NFKB1 3174/4885
US-20140275133-A1 MINERALOCORTICOID RECEPTOR ANTAGONISTS NR3C2, MC2R, CYP11B2 ADRA2A 77/4885ADRA1A 43/4885NFKB1 1381/4885
US-20060052435-A1 Selective dopamin d3 receptor agonists for the treatment of sexual dysfunction DRD3, ADRB3, DRD2 ADRA2A 48/4885ADRA1A 46/4885NFKB1 4355/4885

“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.