SCHEMBL4130344

SCHEMBL4130344

CC(=O)C[C@H](NC(=O)C1CCC(F)(F)CC1)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 13/20 0.54
KCNH2 Q12809 3/20 0.51
CYP3A4 P08684 1/20 0.51
ADRA2A P08913 1/20 0.51
CYP2C9 P11712 1/20 0.51
KCNE1 P15382 1/20 0.51
OPRM1 P35372 1/20 0.51
KCNQ1 P51787 1/20 0.51
SLC47A1 Q96FL8 1/20 0.51
KCNQ3 O43525 1/20 0.50
KCNQ2 O43526 1/20 0.50
ITGB3 P05106 1/20 0.50
ITGA2B P08514 1/20 0.50
RECQL P46063 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.46
LMNA P02545 1/20 0.45

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
SCHEMBL14420637 1.00 CCR5 (0.54) CCR5KCNH2CYP3A4ADRA2ACYP2C9
SCHEMBL3882540 0.90 ITGB3 (0.60) CCR5KCNH2CYP3A4ADRA2ACYP2C9
SCHEMBL14218307 0.90 ITGB3 (0.60) CCR5KCNH2CYP3A4ADRA2ACYP2C9
SCHEMBL14416420 0.89 CCR5 (0.53) CCR5KCNH2CYP3A4ADRA2ACYP2C9
SCHEMBL16201140 0.88 CCR5 (0.52) CCR5KCNH2CYP3A4ADRA2ACYP2C9
SCHEMBL22904186 0.86 KCNQ3 (0.65) CCR5KCNH2CYP3A4ADRA2ACYP2C9
SCHEMBL22904305 0.86 KCNQ3 (0.65) CCR5KCNH2CYP3A4ADRA2ACYP2C9
SCHEMBL4130312 0.85 RECQL (0.62) CCR5KCNH2RECQLSMN1; SMN2LMNA
SCHEMBL5424938 0.85 LMNA (0.61) CCR5KCNH2KCNQ3KCNQ2RECQL
SCHEMBL15246903 0.85 CCR5 (0.56) CCR5KCNH2CYP3A4ADRA2ACYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090209578-A1 CHEMICAL COMPOUNDS PFIZER INC 2009-08-20 US disclosed
US-20090209578-A1 CHEMICAL COMPOUNDS PFIZER INC 2009-08-20 US disclosed
US-20090209578-A1 CHEMICAL COMPOUNDS PFIZER INC 2009-08-20 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-20090209578-A1 CHEMICAL COMPOUNDS CCR5, CXCR3, CXCR1 CCR5 1/4885KCNH2 3382/4885CYP3A4 313/4885

“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.