SCHEMBL4789448

SCHEMBL4789448

CCOC(=O)CCC/C=C\c1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1I2 O75469 1/20 0.41
PGR P06401 1/20 0.41
ADORA3 P0DMS8 1/20 0.41
PTGS2 P35354 1/20 0.41
PDE4D Q08499 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CYSLTR2 Q9NS75 1/20 0.39
CYSLTR1 Q9Y271 1/20 0.39
TBXAS1 P24557 1/20 0.39
POLB P06746 1/20 0.38
FAAH O00519 2/20 0.38
ALDH1A1 P00352 2/20 0.38
CYP3A4 P08684 1/20 0.38
ALOX15 P16050 1/20 0.38
TSHR P16473 1/20 0.38
HSD17B10 Q99714 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
TOP2A P11388 1/20 0.37
SIRT2 Q8IXJ6 7/20 0.36
NPC1 O15118 1/20 0.36

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
SCHEMBL4682557 0.94 SMN1; SMN2 (0.43) SMN1; SMN2CYSLTR2CYSLTR1POLBALDH1A1
SCHEMBL1310533 0.85 TOP1 (0.42) ADORA3CYSLTR2CYSLTR1TBXAS1ALDH1A1
SCHEMBL1310531 0.85 TOP1 (0.42) ADORA3CYSLTR2CYSLTR1TBXAS1ALDH1A1
SCHEMBL29055933 0.82 TBXAS1 (0.44) CYSLTR2CYSLTR1TBXAS1
SCHEMBL25311000 0.82 TBXAS1 (0.44) CYSLTR2CYSLTR1TBXAS1
SCHEMBL29055928 0.81 TBXAS1 (0.43) CYSLTR2CYSLTR1TBXAS1ALDH1A1
SCHEMBL25388228 0.81 TBXAS1 (0.43) CYSLTR2CYSLTR1TBXAS1ALDH1A1
SCHEMBL30521349 0.81 TBXAS1 (0.43) CYSLTR2CYSLTR1TBXAS1ALDH1A1
SCHEMBL25311135 0.81 TBXAS1 (0.43) CYSLTR2CYSLTR1TBXAS1ALDH1A1
SCHEMBL25307567 0.81 FABP4 (0.39) TBXAS1SIRT2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1318994-B1 SUBSTITUTED IMIDAZOLES AS DUAL HISTAMINE H1 AND H3 AGONISTS OR ANTAGONISTS SCHERING CORP (US) 2008-02-27 EP disclosed
US-6506756-B2 For treatment of allergies, inflammatory and central nervous system related diseases SCHERING CORPORATION 2003-01-14 US disclosed
US-20020086859-A1 Substituted imidazoles as dual histamine H1 and H3 agonists or antagonists SCHERING CORPORATION 2002-07-04 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 (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-20020086859-A1 Substituted imidazoles as dual histamine H1 and H3 agonists or antagonists HRH3, HRH4, HRH2 NR1I2 1251/4885PGR 1647/4885ADORA3 29/4885

“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.