SCHEMBL9906609

SCHEMBL9906609

Cc1ccc(Oc2cccc(CNC(Cc3ccccc3Cl)CN3CCC(O)CC3)c2)cc1

nearest known ligand 0.48

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CXCR4 P61073 5/20 0.43
DRD2 P14416 1/20 0.43
CCR8 P51685 3/20 0.40
FAAH O00519 1/20 0.40
LMNA P02545 1/20 0.37

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
SCHEMBL9906620 0.89 FAAH (0.45) DRD2CCR8FAAH
SCHEMBL9906612 0.85 DRD2 (0.46) DRD2CCR8FAAHLMNA
SCHEMBL3117108 0.84 PPARG (0.47) CCR8FAAHLMNA
SCHEMBL9906636 0.83 SPHK1 (0.47) CXCR4DRD2
SCHEMBL9906617 0.83 DRD2 (0.41) DRD2CCR8FAAHLMNA
SCHEMBL9906594 0.82 FAAH (0.45) CCR8FAAH
SCHEMBL9906615 0.79 RAB9A (0.57) CXCR4LMNA
Trifluoroacetic Acid SCHEMBL3116154 0.79 PPARG (0.46) CCR8FAAHLMNA
SCHEMBL9906610 0.78 DRD2 (0.46) DRD2CCR8FAAH
SCHEMBL13540691 0.73 ALDH1A1 (0.47) CXCR4DRD2CCR8FAAHLMNA

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-8198303-B2 Methods of use and compositions for the diagnosis and treatment of infectious diseases SEQUELLA, INC. (US) 2012-06-12 US disclosed
US-20100273826-A1 METHODS OF USE AND COMPOSITIONS FOR THE DIAGNOSIS AND TREATMENT OF INFECTIOUS DISEASES SEQUELLA, INC. 2010-10-28 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-20100273826-A1 METHODS OF USE AND COMPOSITIONS FOR THE DIAGNOSIS AND TREATMENT OF INFECTIOUS DISEASES C5, THPO, TERT CXCR4 2123/4885DRD2 3352/4885CCR8 603/4885

“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.