SCHEMBL3243324

SCHEMBL3243324

COc1cnc2cccc([C@@H](O)[C@H](O)[C@H]3CC[C@H](C(=O)O)CC3)c2n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 4/20 0.36
PDE4D Q08499 4/20 0.36
PDE4A P27815 3/20 0.36
PDE4C Q08493 3/20 0.36
MTNR1A P48039 2/20 0.34
MTNR1B P49286 2/20 0.34
JAK2 O60674 1/20 0.34
JAK1 P23458 1/20 0.34
JAK3 P52333 1/20 0.34
KDM4E B2RXH2 1/20 0.34
GAA P10253 1/20 0.34
KMT2A Q03164 1/20 0.34
ATM Q13315 1/20 0.34
ACSL1 P33121 2/20 0.34
SLC2A1 P11166 1/20 0.33
DGAT1 O75907 2/20 0.33
VCP P55072 2/20 0.33
NEK2 P51955 1/20 0.32
TNF P01375 1/20 0.32
LITAF Q99732 1/20 0.32

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
SCHEMBL3243332 1.00 PDE4B (0.36) PDE4BPDE4DPDE4APDE4CMTNR1A
SCHEMBL3245683 1.00 PDE4B (0.36) PDE4BPDE4DPDE4APDE4CMTNR1A
SCHEMBL3245687 1.00 PDE4B (0.36) PDE4BPDE4DPDE4APDE4CMTNR1A
SCHEMBL3372981 0.86 PTPN11 (0.34) MTNR1AMTNR1BJAK2JAK1JAK3
SCHEMBL3373329 0.86 PTPN11 (0.34) MTNR1AMTNR1BJAK2JAK1JAK3
SCHEMBL3249797 0.84 KCNH2 (0.43) SLC2A1DGAT1
SCHEMBL3249794 0.84 KCNH2 (0.43) SLC2A1DGAT1
SCHEMBL3374612 0.81 MTNR1A (0.39) MTNR1AMTNR1BJAK2JAK1
SCHEMBL3374607 0.81 MTNR1A (0.39) MTNR1AMTNR1BJAK2JAK1
SCHEMBL3377910 0.81 MTNR1A (0.39) MTNR1AMTNR1BJAK2JAK1

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 PDE4B 2503/4885PDE4D 2854/4885PDE4A 2059/4885

“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.