SCHEMBL3254209

SCHEMBL3254209

N#Cc1ccc2nccc(OCC3CCC(C(=O)O)CC3)c2c1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC22A12 Q96S37 1/20 0.45
IRAK4 Q9NWZ3 6/20 0.44
AR P10275 1/20 0.43
PDE4B Q07343 2/20 0.41
DRD2 P14416 1/20 0.41
DRD3 P35462 1/20 0.41
PDE4A P27815 1/20 0.40
PDE4C Q08493 1/20 0.40
PDE4D Q08499 1/20 0.40
DGAT1 O75907 1/20 0.40
CCNC P24863 1/20 0.40
CDK8 P49336 1/20 0.40
SLC6A9 P48067 1/20 0.40
CYP4F2 P78329 1/20 0.40
CYP4A11 Q02928 1/20 0.40
NOTUM Q6P988 1/20 0.40

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
SCHEMBL3254205 1.00 SLC22A12 (0.45) SLC22A12IRAK4ARPDE4BDRD2
SCHEMBL3250749 0.82 LMNA (0.52) SLC22A12IRAK4CYP4F2CYP4A11
SCHEMBL3250752 0.82 LMNA (0.52) SLC22A12IRAK4CYP4F2CYP4A11
SCHEMBL4659915 0.81 SLC22A12 (0.45) SLC22A12IRAK4ARDRD2DRD3
SCHEMBL3253528 0.81 IDO1 (0.48) IRAK4ARCYP4F2CYP4A11
SCHEMBL3253523 0.81 IDO1 (0.48) IRAK4ARCYP4F2CYP4A11
SCHEMBL1147868 0.79 KDM4E (0.49)
SCHEMBL3249031 0.75 ALDH1A1 (0.44) SLC22A12IRAK4
SCHEMBL5510227 0.73 IRAK4 (0.51) SLC22A12IRAK4ARCCNCCDK8
SCHEMBL5510222 0.73 IRAK4 (0.51) SLC22A12IRAK4ARCCNCCDK8

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
EP-2001478-B1 CYCLOHEXYL OR PIPERIDINYL CARBOXAMIDE ANTIBIOTIC DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2010-06-02 EP claimed
US-20090105232-A1 CYCLOHEXYL OR PIPERIDINYL CARBOXAMIDE ANTIBIOTIC DERIVATIVES ACTELION PHARMACEUTICALS LTD. (CH) 2009-04-23 US claimed
EP-2001478-A1 CYCLOHEXYL OR PIPERIDINYL CARBOXAMIDE ANTIBIOTIC DERIVATIVES Actelion Pharmaceuticals Ltd. (CH) 2008-12-17 EP claimed
WO-2007107965-A1 CYCLOHEXYL OR PIPERIDINYL CARBOXAMIDE ANTIBIOTIC DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2007-09-27 WO claimed
EP-2001478-B1 CYCLOHEXYL OR PIPERIDINYL CARBOXAMIDE ANTIBIOTIC DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2010-06-02 EP disclosed
US-20090105232-A1 CYCLOHEXYL OR PIPERIDINYL CARBOXAMIDE ANTIBIOTIC DERIVATIVES ACTELION PHARMACEUTICALS LTD. (CH) 2009-04-23 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-20090105232-A1 CYCLOHEXYL OR PIPERIDINYL CARBOXAMIDE ANTIBIOTIC DERIVATIVES CBR3, RXFP4, ODC1 SLC22A12 2005/4885IRAK4 1023/4885AR 2359/4885

“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.