SCHEMBL2945744

SCHEMBL2945744

CCCCc1cc2ccc(CC)cn2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SKP2 Q13309 1/20 0.40
CA2 P00918 2/20 0.38
CA1 P00915 1/20 0.38
ALDH1A1 P00352 2/20 0.37
HPGD P15428 2/20 0.37
HSD17B10 Q99714 2/20 0.37
THRA P10827 1/20 0.37
THRB P10828 1/20 0.37
SMN1; SMN2 Q16637 3/20 0.36
TP53 P04637 3/20 0.35
NPC1 O15118 3/20 0.35
RAB9A P51151 3/20 0.35
ESR1 P03372 2/20 0.35
ADRA2A P08913 2/20 0.35
ADORA3 P0DMS8 2/20 0.35
TACR2 P21452 2/20 0.35
SLC6A2 P23975 2/20 0.35
SLC6A4 P31645 2/20 0.35
SLC6A3 Q01959 2/20 0.35
MAPK1 P28482 2/20 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
SCHEMBL7172701 0.76 TRPA1 (0.33) TP53PTGS1PTGS2
SCHEMBL6245853 0.72 HSD11B1 (0.39) ALDH1A1HSD17B10SMN1; SMN2TP53NPC1
SCHEMBL24038424 0.71 KDM4E (0.36) ALDH1A1SMN1; SMN2TP53KDM4ELMNA
SCHEMBL329514 0.71 CA2 (0.58) SKP2CA2CA1ALDH1A1HPGD
SCHEMBL83869 0.68 CA2 (0.65) SKP2CA2CA1ALDH1A1HPGD
SCHEMBL1187465 0.67 HPGD (0.54) SKP2CA2CA1ALDH1A1HPGD
SCHEMBL9839955 0.66 CA2 (0.62) SKP2CA2CA1ALDH1A1HPGD
SCHEMBL10568421 0.66 ALDH1A1 (0.65) CA2CA1ALDH1A1HPGDHSD17B10
Ammonia Solution, Strong SCHEMBL28990998 0.66 CA2 (0.62) SKP2CA2CA1ALDH1A1HPGD
SCHEMBL7513802 0.66 RARB (0.60) CA2CA1ALDH1A1HPGDHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101312973-B Indolizine derivatives, process for their preparation and pharmaceutical compositions containing them SANOFI-AVENTIS (FR) 2011-12-28 CN disclosed
US-7799799-B2 Indolizine derivatives, method for preparing same, and therapeutic compositions comprising same SANOFI-AVENTIS (FR) 2010-09-21 US disclosed
EP-1957490-B1 NOVEL INDOLIZINE DERIVATIVES, METHOD FOR PREPARING SAME AND THERAPEUTIC COMPOSITIONS COMPRISING SAME SANOFI AVENTIS (FR) 2010-01-06 EP disclosed
CN-101312973-A Indolizine derivatives, process for their preparation and pharmaceutical compositions containing them SANOFI AVENTIS (FR) 2008-11-26 CN disclosed
US-20080287485-A1 NOVEL INDOLIZINE DERIVATIVES, METHOD FOR PREPARING SAME, AND THERAPEUTIC COMPOSITIONS COMPRISING SAME SANOFI-AVENTIS (FR) 2008-11-20 US disclosed
EP-1957490-A1 NOVEL INDOLIZINE DERIVATIVES, METHOD FOR PREPARING SAME AND THERAPEUTIC COMPOSITIONS COMPRISING SAME sanofi-aventis (FR) 2008-08-20 EP disclosed
WO-2007060318-A1 NOVEL INDOLIZINE DERIVATIVES, METHOD FOR PREPARING SAME AND THERAPEUTIC COMPOSITIONS COMPRISING SAME SANOFI-AVENTIS (FR) 2007-05-31 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 (1 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-20080287485-A1 NOVEL INDOLIZINE DERIVATIVES, METHOD FOR PREPARING SAME, AND THERAPEUTIC COMPOSITIONS COMPRISING SAME INMT, IDO1, IDO2 SKP2 834/4885CA2 3001/4885CA1 2685/4885

“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.