SCHEMBL3118201

SCHEMBL3118201

C=C1C(=O)N[C@@H](Cc2ccccc2)C(=O)N1C(C)C

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PLA2G10 O15496 1/20 0.47
PLA2G5 P39877 1/20 0.47
GAA P10253 3/20 0.45
CYP3A4 P08684 2/20 0.45
CYP2C19 P33261 2/20 0.45
POLB P06746 1/20 0.45
CYP1A2 P05177 1/20 0.45
ALDH1A1 P00352 1/20 0.43
NR0B1 P51843 1/20 0.40
CYP2C9 P11712 1/20 0.39
PLAU P00749 1/20 0.39
PLAUR Q03405 1/20 0.39
ROCK2 O75116 1/20 0.39
ALOX15 P16050 1/20 0.39
HTT P42858 1/20 0.39
PAX8 Q06710 1/20 0.39

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
SCHEMBL3118214 1.00 PLA2G10 (0.47) PLA2G10PLA2G5GAACYP3A4CYP2C19
SCHEMBL8819340 0.84 PLA2G10 (0.52) PLA2G10PLA2G5GAACYP3A4CYP2C19
SCHEMBL3103530 0.82 GAA (0.50) PLA2G10PLA2G5GAACYP3A4CYP2C19
SCHEMBL3103541 0.82 GAA (0.50) PLA2G10PLA2G5GAACYP3A4CYP2C19
SCHEMBL3105212 0.77 GAA (0.65) PLA2G10PLA2G5GAACYP3A4CYP2C19
SCHEMBL3105199 0.77 GAA (0.65) PLA2G10PLA2G5GAACYP3A4CYP2C19
SCHEMBL3111869 0.74 GAA (0.50) PLA2G10PLA2G5GAACYP3A4CYP2C19
SCHEMBL3111866 0.74 GAA (0.50) PLA2G10PLA2G5GAACYP3A4CYP2C19
SCHEMBL11267920 0.69 PLA2G10 (0.60) PLA2G10PLA2G5GAACYP3A4CYP2C19
SCHEMBL12408230 0.69 PLA2G10 (0.60) PLA2G10PLA2G5GAACYP3A4CYP2C19

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-7732605-B2 Synthesis of diketopiperazines NEREUS PHARMACEUTICALS, INC. (US) 2010-06-08 US disclosed
US-7732605-B2 Synthesis of diketopiperazines NEREUS PHARMACEUTICALS, INC. (US) 2010-06-08 US disclosed
US-7732605-B2 Synthesis of diketopiperazines NEREUS PHARMACEUTICALS, INC. (US) 2010-06-08 US disclosed
US-20060235226-A1 Synthesis of diketopiperazines BEYONDSPRING PHARMACEUTICALS, INC. 2006-10-19 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-20060235226-A1 Synthesis of diketopiperazines DHPS, COASY, TKT PLA2G10 4625/4885PLA2G5 3674/4885GAA 1065/4885

“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.