SCHEMBL3208936

SCHEMBL3208936

C=CCOc1ccc2c(ccn2CC2CCC2)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 4/20 0.38
CA1 P00915 4/20 0.38
CA9 Q16790 4/20 0.38
FGFR1 P11362 1/20 0.38
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
GRIN1 Q05586 1/20 0.37
KCNH2 Q12809 1/20 0.37
GRIN2B Q13224 1/20 0.37
ADRA2A P08913 1/20 0.36
ADRA2B P18089 1/20 0.36
ADRA2C P18825 1/20 0.36
HTR2C P28335 1/20 0.36
MAPT P10636 2/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
PPARG P37231 2/20 0.35
PPARD Q03181 1/20 0.35
PPARA Q07869 1/20 0.35

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
SCHEMBL6561722 0.79 KDM4E (0.45) CA12CA1CA9FGFR1HTR2C
SCHEMBL27751964 0.77 ABCC2 (0.41) FGFR1MAPTNPC1RAB9AMEN1
SCHEMBL21335584 0.76 HTR2C (0.56) HTR2CMAPTMEN1KMT2AHTR6
SCHEMBL5973952 0.75 GRM2 (0.51) CA12CA1CA9FGFR1HTR2C
SCHEMBL6109995 0.74 HRH3 (0.59) KCNH2HTR6
SCHEMBL3215370 0.72 KDM4C (0.46) FGFR1NPC1RAB9APPARGPPARD
SCHEMBL3218513 0.72 CNR2 (0.47) LMNA
SCHEMBL3825460 0.69 CA12 (0.64) CA12CA1CA9FGFR1ADRA2A
SCHEMBL23902695 0.69 PRKCI (0.44) MAPTLMNASMN1; SMN2HTR6
SCHEMBL14220738 0.69 HTR2A (0.50) CYP1A2CYP2C9CYP2C19GRIN1KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7674818-B2 Aryl, aryloxy, alkyloxy substituted 1H-indol-3-yl glyoxylic acid derivatives as inhibitors of plasminogen activator inhibitor-1 (PAI-1) WYETH LLC (US) 2010-03-09 US disclosed
EP-1569901-B1 ARYL, ARYLOXY, AND ALKYLOXY SUBSTITUTED i 1H /i -INDOL-3-YL GLYOXYLIC ACID DERIVATIVES AS INHIBITORS OF PLASMINOGEN ACTIVATOR INHIBITOR-1 (PAI-1) WYETH CORP (US) 2008-10-15 EP disclosed
US-20070259922-A1 Aryl, aryloxy, alkyloxy substituted 1H-indol-3-yl glyoxylic acid derivatives as inhibitors of plasminogen activator inhibitor-1 (PAI-1) WYETH (US) 2007-11-08 US disclosed
US-7259182-B2 Deep vein thrombosis, noninsulin dependent diabetes, atherosclerosis, and pulmonary fibrosis treatment; cardiovascular and brain disorders WYETH (US) 2007-08-21 US disclosed
CN-1723198-A Aryl, aryloxy, and alkyloxy substituted 1h-indol-3-yl glyoxylic acid derivatives as inhibitors of plasminogen activator inhibitor-1 (PAI-1) WYETH CORP (US) 2006-01-18 CN disclosed
US-20040138283-A1 Aryl, aryloxy, and alkyloxy substituted 1H-indol-3-yl glyoxylic acid derivatives as inhibitors of plasminogen activator inhibitor-1 (PAI-1) WYETH (US) 2004-07-15 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 (2 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-20040138283-A1 Aryl, aryloxy, and alkyloxy substituted 1H-indol-3-yl glyoxylic acid derivatives as inhibitors of plasminogen activator inhibitor-1 (PAI-1) SERPINE1, PLAT, SERPINC1 CA12 4324/4885CA1 4049/4885CA9 2309/4885
US-20070259922-A1 Aryl, aryloxy, alkyloxy substituted 1H-indol-3-yl glyoxylic acid derivatives as inhibitors of plasminogen activator inhibitor-1 (PAI-1) SERPINE1, SERPINC1, PLAT CA12 4325/4885CA1 4070/4885CA9 2288/4885

“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.