SCHEMBL3253528

SCHEMBL3253528

O=C(O)C1CCC(COc2ccnc3ccccc23)CC1

nearest known ligand 0.60

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.48
SSTR4 P31391 1/20 0.46
AR P10275 4/20 0.45
CYP4F2 P78329 1/20 0.44
CYP4A11 Q02928 1/20 0.44
VCP P55072 1/20 0.44
IRAK4 Q9NWZ3 3/20 0.43

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
SCHEMBL3253523 1.00 IDO1 (0.48) IDO1SSTR4ARCYP4F2CYP4A11
SCHEMBL3250749 0.81 LMNA (0.52) CYP4F2CYP4A11VCPIRAK4
SCHEMBL3250752 0.81 LMNA (0.52) CYP4F2CYP4A11VCPIRAK4
SCHEMBL3254209 0.81 SLC22A12 (0.45) ARCYP4F2CYP4A11IRAK4
SCHEMBL3254205 0.81 SLC22A12 (0.45) ARCYP4F2CYP4A11IRAK4
SCHEMBL4658854 0.79 SSTR4 (0.43) IDO1SSTR4ARIRAK4
SCHEMBL12359254 0.78 IDO1 (0.46) IDO1SSTR4ARIRAK4
SCHEMBL3269883 0.76 ABCB1 (0.60)
SCHEMBL3269886 0.76 ABCB1 (0.60)
SCHEMBL30438176 0.76 ALOX15 (0.61)

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
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-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 IDO1 1020/4885SSTR4 187/4885AR 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.