SCHEMBL324282

SCHEMBL324282

Cc1cc(C)n(COC(=O)N2C=Cc3ccccc3C2)n1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.38
NAMPT P43490 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.36
ALDH1A1 P00352 3/20 0.36
RAB9A P51151 2/20 0.36
GAA P10253 1/20 0.36
TSHR P16473 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
MAPT P10636 1/20 0.35
KDM4E B2RXH2 2/20 0.34
APAF1 O14727 1/20 0.34
POLB P06746 1/20 0.34
PKM P14618 1/20 0.34
KMT2A Q03164 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
SCHEMBL323526 0.89 TSHR (0.45) LMNANAMPTSMN1; SMN2ALDH1A1GAA
SCHEMBL14892647 0.82 PTGDR2 (0.39) ALDH1A1GAAMAPTKMT2A
SCHEMBL15056964 0.80 HDAC3 (0.41) LMNANAMPTSMN1; SMN2ALDH1A1RAB9A
SCHEMBL29493251 0.80 HDAC3 (0.41) LMNANAMPTSMN1; SMN2ALDH1A1RAB9A
SCHEMBL324898 0.79 PTGDR2 (0.39) LMNASMN1; SMN2ALDH1A1GAATSHR
SCHEMBL14893014 0.77 ALDH1A1 (0.36) LMNASMN1; SMN2ALDH1A1RAB9AGAA
SCHEMBL323914 0.76 POLB (0.43) SMN1; SMN2RAB9ATSHRCYP1A2POLB
SCHEMBL325471 0.76 GAA (0.33) LMNANAMPTALDH1A1RAB9AGAA
SCHEMBL324917 0.75 KMT2A (0.42) LMNAALDH1A1RAB9AKMT2A
SCHEMBL5721697 0.74 ALDH1A1 (0.41) LMNANAMPTSMN1; SMN2ALDH1A1GAA

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 LMNA 1608/4885NAMPT 2828/4885SMN1; SMN2 4056/4885

“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.