SCHEMBL2989161

SCHEMBL2989161

CCOC(=O)Nc1cc[c]cc1C(F)(F)F

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.46
ALDH1A1 P00352 3/20 0.43
HPGD P15428 2/20 0.43
KCNQ2 O43526 4/20 0.42
KCNQ3 O43525 3/20 0.42
KDM4E B2RXH2 2/20 0.40
KMT2A Q03164 2/20 0.40
KCNQ4 P56696 2/20 0.39
KCNQ5 Q9NR82 2/20 0.39
NLRP3 Q96P20 2/20 0.38
MEN1 O00255 1/20 0.38
MAOB P27338 1/20 0.38
POLB P06746 1/20 0.38
GAA P10253 1/20 0.38

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
SCHEMBL5217967 0.81 KMT2A (0.42) CYP1A2CYP2C9CYP2C19SMN1; SMN2ALDH1A1
SCHEMBL687401 0.80 POLB (0.45) ALDH1A1KDM4EKMT2AMEN1POLB
SCHEMBL21059165 0.80 KMT2A (0.59) CYP1A2CYP2C9CYP2C19ALDH1A1HPGD
SCHEMBL28133752 0.78 CYP1A2 (0.50) CYP1A2CYP2C9CYP2C19SMN1; SMN2ALDH1A1
SCHEMBL7107830 0.77 ALDH1A1 (0.44) SMN1; SMN2ALDH1A1KDM4EKMT2AMEN1
SCHEMBL7113819 0.76 MAPT (0.37) CYP1A2CYP2C9CYP2C19SMN1; SMN2ALDH1A1
SCHEMBL2072500 0.75 CYP1A2 (0.54) CYP1A2CYP2C9CYP2C19SMN1; SMN2ALDH1A1
SCHEMBL6333634 0.75 CYP1A2 (0.54) CYP1A2CYP2C9CYP2C19SMN1; SMN2ALDH1A1
SCHEMBL687471 0.73 POLB (0.47) SMN1; SMN2ALDH1A1HPGDKDM4EKMT2A
SCHEMBL7110018 0.72 PDE3B (0.36)

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-7776884-B2 Cyclic derivatives as modulators of chemokine receptors activity BRISTOL-MYERS SQUIBB COMPANY (US) 2010-08-17 US disclosed
US-7087604-B2 Cyclic derivatives as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY (US) 2006-08-08 US disclosed
US-20060135503-A1 Cyclic derivatives as modulators of chemokine receptors activity CHERNEY ROBERT J 2006-06-22 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-20060135503-A1 Cyclic derivatives as modulators of chemokine receptors activity CCL11, CCR1, CCL2 CYP1A2 2913/4885CYP2C9 2784/4885CYP2C19 3100/4885

“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.