SCHEMBL2275845

SCHEMBL2275845

COC(=O)c1ccc2c(C3CCCCC3)c3n(c2c1)CC(CCCN1CCNCC1)COc1ccccc1-3

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCA P17252 1/20 0.52
MMP12 P39900 1/20 0.52
CASR P41180 1/20 0.37
SCARB1 Q8WTV0 1/20 0.36
NR1I2 O75469 3/20 0.36
FLT3 P36888 2/20 0.34
ADRA1D P25100 1/20 0.34
ADRA1A P35348 1/20 0.34
ADRA1B P35368 1/20 0.34
JAK2 O60674 1/20 0.34
MET P08581 1/20 0.34
JAK3 P52333 1/20 0.34
KCNH2 Q12809 3/20 0.34
SCN9A Q15858 3/20 0.33
CYP3A4 P08684 2/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
CNR2 P34972 1/20 0.33
ALDH1A1 P00352 1/20 0.32
HRH1 P35367 1/20 0.32

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
SCHEMBL2276824 0.89 PRKCA (0.54) PRKCAMMP12NR1I2KCNH2SCN9A
SCHEMBL2273252 0.88 PRKCA (0.57) PRKCAMMP12SCARB1NR1I2KCNH2
SCHEMBL393359 0.86 PRKCA (0.60) PRKCAMMP12NR1I2KCNH2SCN9A
SCHEMBL393360 0.86 PRKCA (0.60) PRKCAMMP12NR1I2KCNH2SCN9A
SCHEMBL394863 0.86 PRKCA (0.58) PRKCAMMP12NR1I2KCNH2SCN9A
SCHEMBL394862 0.86 PRKCA (0.58) PRKCAMMP12NR1I2KCNH2SCN9A
SCHEMBL14110621 0.85 PRKCA (0.57) PRKCAMMP12CASRNR1I2KCNH2
SCHEMBL2279970 0.85 PRKCA (0.59) PRKCAMMP12NR1I2KCNH2SCN9A
SCHEMBL2274623 0.84 PRKCA (0.47) PRKCAMMP12SCARB1NR1I2KCNH2
SCHEMBL3088994 0.82 PRKCA (0.56) PRKCAMMP12SCARB1NR1I2KCNH2

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-7989438-B2 Therapeutic compounds ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2011-08-02 US disclosed
US-20090048239-A1 Therapeutic compounds MSD ITALIA S.R.L. (IT) 2009-02-19 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-20090048239-A1 Therapeutic compounds RRP1B, RCE1, CTSZ PRKCA 4250/4885MMP12 2067/4885CASR 4871/4885

“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.