SCHEMBL2074557

SCHEMBL2074557

COc1ccccc1Oc1ccccc1CN1CCC2(CC1)CCN(C(=O)c1ccc(=O)[nH]c1C(F)(F)F)CC2

nearest known ligand 0.67

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CCR8 P51685 7/20 0.67
KCNH2 Q12809 7/20 0.67
USP2 O75604 4/20 0.59
TSHR P16473 4/20 0.59
SMN1; SMN2 Q16637 1/20 0.59
CYP2D6 P10635 10/20 0.54
CYP3A4 P08684 3/20 0.54
ALDH1A1 P00352 3/20 0.52
HIF1A Q16665 1/20 0.49

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
Trifluoroacetic Acid SCHEMBL2075655 0.97 CCR8 (0.64) CCR8KCNH2USP2TSHRSMN1; SMN2
SCHEMBL2075659 0.82 CCR8 (0.61) CCR8KCNH2USP2TSHRSMN1; SMN2
SCHEMBL2076183 0.80 CCR8 (1.00) CCR8KCNH2USP2TSHRSMN1; SMN2
SCHEMBL4238747 0.80 CCR8 (0.73) CCR8KCNH2USP2TSHRSMN1; SMN2
SCHEMBL5247234 0.80 CCR8 (0.73) CCR8KCNH2USP2TSHRSMN1; SMN2
SCHEMBL4234222 0.79 CCR8 (0.72) CCR8KCNH2USP2TSHRSMN1; SMN2
SCHEMBL5255658 0.79 CCR8 (0.72) CCR8KCNH2USP2TSHRSMN1; SMN2
SCHEMBL2074540 0.79 CCR8 (0.71) CCR8KCNH2USP2TSHRSMN1; SMN2
SCHEMBL5229766 0.78 CCR8 (0.74) CCR8KCNH2USP2TSHRSMN1; SMN2
Trifluoroacetic Acid SCHEMBL5428526 0.77 CCR8 (0.89) CCR8KCNH2USP2TSHRSMN1; SMN2

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
US-20110053969-A1 NOVEL DIAZASIPIROAKANES AND THEIR USE FOR TREATMENT OF CCR8 MEDIATED DISEASES ASTRAZENECA AB (SE) 2011-03-03 US claimed
US-20110053969-A1 NOVEL DIAZASIPIROAKANES AND THEIR USE FOR TREATMENT OF CCR8 MEDIATED DISEASES ASTRAZENECA AB (SE) 2011-03-03 US disclosed
US-20110053969-A1 NOVEL DIAZASIPIROAKANES AND THEIR USE FOR TREATMENT OF CCR8 MEDIATED DISEASES ASTRAZENECA AB (SE) 2011-03-03 US disclosed
US-20110053969-A1 NOVEL DIAZASIPIROAKANES AND THEIR USE FOR TREATMENT OF CCR8 MEDIATED DISEASES ASTRAZENECA AB (SE) 2011-03-03 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-20110053969-A1 NOVEL DIAZASIPIROAKANES AND THEIR USE FOR TREATMENT OF CCR8 MEDIATED DISEASES CCR8, CCR1, CCR3 CCR8 1/4885KCNH2 3558/4885USP2 2925/4885

“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.