SCHEMBL324494

SCHEMBL324494

O=C(OCCc1cccc(F)c1)N1C=Cc2ccccc2C1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 3/20 0.45
CHRM5 P08912 2/20 0.45
NAMPT P43490 3/20 0.39
ALOX5 P09917 1/20 0.39
TAAR1 Q96RJ0 1/20 0.37
PTGDR2 Q9Y5Y4 1/20 0.36
LMNA P02545 1/20 0.36
GLA P06280 1/20 0.36
SIRT2 Q8IXJ6 1/20 0.35
CHRM2 P08172 1/20 0.35
CHRM4 P08173 1/20 0.35
CHRM3 P20309 1/20 0.35
SLC6A3 Q01959 1/20 0.35
HCAR2 Q8TDS4 1/20 0.34
MAOB P27338 1/20 0.34
CASP3 P42574 1/20 0.34
CASP7 P55210 1/20 0.34

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
SCHEMBL323355 0.89 HCAR2 (0.43) NAMPTPTGDR2HCAR2MAOB
SCHEMBL323621 0.87 P2RX4 (0.44) CHRM1CHRM5NAMPTLMNAGLA
SCHEMBL323769 0.78 TSHR (0.42) NAMPT
SCHEMBL324380 0.78 P2RX4 (0.42) PTGDR2LMNA
SCHEMBL323140 0.77 MMP2 (0.42) PTGDR2
SCHEMBL323401 0.77 BCL9 (0.40) PTGDR2MAOB
SCHEMBL5721697 0.77 ALDH1A1 (0.41) CHRM1CHRM5NAMPTLMNACHRM2
SCHEMBL324299 0.77 P2RX4 (0.52) PTGDR2SLC6A3
SCHEMBL15056629 0.76 HDAC3 (0.39) PTGDR2
SCHEMBL323819 0.76 MMP1 (0.39) PTGDR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8575158-B2 1-phenyl-substituted heterocyclyl derivatives and their use as prostaglandin D2 receptor modulators ACTELION PHARMACEUTICALS LTD. (CH) 2013-11-05 US disclosed
EP-2590944-A1 1-PHENYL-SUBSTITUTED HETEROCYCLYL DERIVATIVES AND THEIR USE AS PROSTAGLANDIN D2 RECEPTOR MODULATORS Actelion Pharmaceuticals Ltd. (CH) 2013-05-15 EP disclosed
US-20130109685-A1 1-PHENYL-SUBSTITUTED HETEROCYCLYL DERIVATIVES AND THEIR USE AS PROSTAGLANDIN D2 RECEPTOR MODULATORS ACTELION PHARMACEUTICALS LTD. (CH) 2013-05-02 US disclosed
WO-2012004722-A1 1-PHENYL-SUBSTITUTED HETEROCYCLYL DERIVATIVES AND THEIR USE AS PROSTAGLANDIN D2 RECEPTOR MODULATORS ACTELION PHARMACEUTICALS LTD (CH) 2012-01-12 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-20130109685-A1 1-PHENYL-SUBSTITUTED HETEROCYCLYL DERIVATIVES AND THEIR USE AS PROSTAGLANDIN D2 RECEPTOR MODULATORS PTGER1, PTGDR, PTGDR2 CHRM1 188/4885CHRM5 363/4885NAMPT 2828/4885

“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.