SCHEMBL2274498

SCHEMBL2274498

COC(=O)c1ccc2c(C3CCCCC3)c3n(c2c1)C[C@@H](CCN(C)C(=O)CCN(C)C(=O)OC(C)(C)C)COc1ccccc1-3

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PRKCA P17252 1/20 0.53
MMP12 P39900 1/20 0.53
NR1I2 O75469 7/20 0.34
HTR2C P28335 1/20 0.33
SLC6A4 P31645 1/20 0.33
CYP3A4 P08684 3/20 0.32
CASR P41180 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
KCNH2 Q12809 5/20 0.31
SCN5A Q14524 2/20 0.31

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
SCHEMBL2274493 1.00 PRKCA (0.53) PRKCAMMP12NR1I2HTR2CSLC6A4
SCHEMBL2280077 0.90 PRKCA (0.42) PRKCAMMP12NR1I2HTR2CSLC6A4
SCHEMBL2276303 0.90 PRKCA (0.53) PRKCAMMP12NR1I2HTR2CSLC6A4
SCHEMBL2280304 0.89 PRKCA (0.56) PRKCAMMP12NR1I2CYP3A4CASR
SCHEMBL2280308 0.89 PRKCA (0.56) PRKCAMMP12NR1I2CYP3A4CASR
SCHEMBL2274891 0.88 PRKCA (0.44) PRKCAMMP12NR1I2HTR2CSLC6A4
SCHEMBL2279922 0.86 PRKCA (0.54) PRKCAMMP12NR1I2CYP3A4CYP2C9
SCHEMBL393356 0.86 PRKCA (0.53) PRKCAMMP12NR1I2CYP3A4CASR
SCHEMBL393357 0.86 PRKCA (0.53) PRKCAMMP12NR1I2CYP3A4CASR
SCHEMBL4211804 0.84 PRKCA (0.48) PRKCAMMP12NR1I2HTR2CSLC6A4

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 2067/4885NR1I2 381/4885

“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.