Sugi Predict

Sugi Predict / Compounds / SCHEMBL2080673

SCHEMBL2080673

SCHEMBL2080673

COc1cc(C(O)CN)ccc1F

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NFKB1 P19838 3/20 0.69
▸ BLM P54132 5/20 0.67
▸ PMP22 Q01453 3/20 0.67
▸ TSHR P16473 3/20 0.49
▸ CYP3A4 P08684 2/20 0.49
▸ ADRA2A P08913 2/20 0.49
▸ ADRA1A P35348 2/20 0.49
▸ MAPT P10636 3/20 0.47
▸ RECQL P46063 3/20 0.47
▸ TDP1 Q9NUW8 3/20 0.47
▸ TAAR1 Q96RJ0 3/20 0.47
▸ KDM4E B2RXH2 3/20 0.47
▸ HPGD P15428 2/20 0.47
▸ APEX1 P27695 2/20 0.47
▸ LMNA P02545 2/20 0.47
▸ MAPK1 P28482 2/20 0.47
▸ MEN1 O00255 1/20 0.47
▸ ADRB2 P07550 1/20 0.47
▸ ADRB1 P08588 1/20 0.47
▸ ADORA3 P0DMS8 1/20 0.47

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
SCHEMBL7150624 0.87 NFKB1 (0.64) NFKB1BLMPMP22TSHRCYP3A4
SCHEMBL10935737 0.87 NFKB1 (0.64) NFKB1BLMPMP22TSHRCYP3A4
Hydrochloric Acid SCHEMBL15511462 0.85 BLM (0.65) NFKB1BLMPMP22TSHRCYP3A4
SCHEMBL7148550 0.84 NFKB1 (0.75) NFKB1BLMPMP22TSHRCYP3A4
SCHEMBL15921910 0.84 NFKB1 (0.75) NFKB1BLMPMP22TSHRCYP3A4
SCHEMBL29633151 0.84 NFKB1 (0.75) NFKB1BLMPMP22TSHRCYP3A4
SCHEMBL1966507 0.84 NFKB1 (0.75) NFKB1BLMPMP22TSHRCYP3A4
SCHEMBL28618295 0.83 CYP3A4 (0.49) NFKB1BLMPMP22TSHRCYP3A4
Hydrochloric Acid SCHEMBL8904803 0.83 BLM (0.76) NFKB1BLMPMP22TSHRCYP3A4
Normetanephrine SCHEMBL137755 0.81 NFKB1 (1.00) NFKB1BLMPMP22TSHRCYP3A4

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 27 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-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-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
CN-1723023-A Morpholine derivatives as dopamine agonists in the treatment of sexual dysfunction PFIZER (US) 2006-01-18 — — CN 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
CN-1617727-A Selective dopamine D3 receptor agonists for the treatment of sexual dysfunction PFIZER LTD (US) 2005-05-18 — — CN 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-20060235016-A1 Morpholine Dopamine Agonists DBH, OPRM1, ADRA2B NFKB1 3081/4885BLM 2510/4885PMP22 3409/4885
US-20040259874-A1 Morpholine dopamine agonists DBH, OPRM1, OPRD1 NFKB1 3174/4885BLM 1766/4885PMP22 3568/4885
US-20090270384-A1 MORPHOLINE DOPAMINE AGONISTS DBH, OPRM1, CHRM1 NFKB1 3058/4885BLM 2580/4885PMP22 3472/4885
US-20090318451-A1 MORPHOLINE DOPAMINE AGONISTS FOR THE TREATMENT OF PAIN OPRL1, OPRD1, OPRK1 NFKB1 1755/4885BLM 2469/4885PMP22 1912/4885
US-20060052435-A1 Selective dopamin d3 receptor agonists for the treatment of sexual dysfunction DRD3, ADRB3, DRD2 NFKB1 4355/4885BLM 4642/4885PMP22 3854/4885

“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.