SCHEMBL32668922

SCHEMBL32668922

C=CC[C@H](C)OC(=O)[C@H]1CCCCN1

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
TSHR P16473 1/20 0.35
PRCP P42785 1/20 0.34
DPP7 Q9UHL4 1/20 0.33
TLR2 O60603 2/20 0.32
CCR2 P41597 1/20 0.32
FDPS P14324 1/20 0.32
SLC6A3 Q01959 3/20 0.32
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
ALDH1A1 P00352 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
DHFR P00374 1/20 0.32
IDO1 P14902 1/20 0.31

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
SCHEMBL32668746 1.00 CYP3A4 (0.35) CYP3A4CYP2D6CYP2C9TSHRPRCP
SCHEMBL16585963 0.82 PRCP (0.40) CYP3A4CYP2D6CYP2C9TSHRPRCP
SCHEMBL16586219 0.82 PRCP (0.40) CYP3A4CYP2D6CYP2C9TSHRPRCP
SCHEMBL16586221 0.82 PRCP (0.40) CYP3A4CYP2D6CYP2C9TSHRPRCP
SCHEMBL16585964 0.82 PRCP (0.40) CYP3A4CYP2D6CYP2C9TSHRPRCP
SCHEMBL13106128 0.82 PRCP (0.40) CYP3A4CYP2D6CYP2C9TSHRPRCP
SCHEMBL7320977 0.79 DPP7 (0.37) CYP3A4CYP2D6CYP2C9TSHRPRCP
SCHEMBL32668830 0.78 TSHR (0.38) CYP3A4CYP2D6CYP2C9TSHRPRCP
SCHEMBL32668777 0.78 TSHR (0.38) CYP3A4CYP2D6CYP2C9TSHRPRCP
SCHEMBL5538288 0.78 TSHR (0.40) CYP3A4CYP2D6CYP2C9TSHRPRCP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260034106-A1 Macrocyclic ligands for FK506-binding proteins for treatment of diseases with improved characteristics UNIV DARMSTADT TECH (DE) 2026-02-05 US disclosed
EP-4686495-A1 MACROCYCLIC LIGANDS FOR FK506-BINDING PROTEINS FOR TREATMENT OF DISEASES WITH IMPROVED CHARACTERISTICS Technische Universität Darmstadt (DE) 2026-02-04 EP 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-20260034106-A1 Macrocyclic ligands for FK506-binding proteins for treatment of diseases with improved characteristics FKBP3, FKBP2, FKBP1B CYP3A4 1345/4885CYP2D6 565/4885CYP2C9 2108/4885

“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.