SCHEMBL5348787

SCHEMBL5348787

CN(CCO)C(=O)[C@@H](NC(=O)OCc1ccccc1)c1ccccc1

nearest known ligand 0.71

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PPARG P37231 2/20 0.71
OPRK1 P41145 3/20 0.58
CTSL P07711 5/20 0.57
CTSS P25774 5/20 0.57
ATM Q13315 1/20 0.55
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
LMNA P02545 1/20 0.53
CYP3A4 P08684 6/20 0.49
CTSB P07858 4/20 0.49
CTSK P43235 4/20 0.49
TSHR P16473 3/20 0.49
ALDH1A1 P00352 4/20 0.47
CYP1A2 P05177 1/20 0.46
POLB P06746 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46

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
SCHEMBL5348791 1.00 PPARG (0.71) PPARGOPRK1CTSLCTSSATM
SCHEMBL8353576 0.86 OPRK1 (0.64) PPARGOPRK1CTSLCTSSATM
SCHEMBL14626518 0.83 PPARG (0.53) PPARGOPRK1CTSLCTSSATM
SCHEMBL3255270 0.82 ATM (0.60) PPARGOPRK1CTSLCTSSATM
SCHEMBL3255265 0.82 ATM (0.60) PPARGOPRK1CTSLCTSSATM
SCHEMBL16215928 0.79 ATM (0.69) PPARGOPRK1CTSLCTSSATM
SCHEMBL13168601 0.79 ATM (0.69) PPARGOPRK1CTSLCTSSATM
SCHEMBL13979588 0.79 CTSL (0.67) PPARGOPRK1CTSLCTSSATM
SCHEMBL1362502 0.79 ATM (0.77) PPARGOPRK1CTSLCTSSATM
SCHEMBL3255533 0.79 ATM (0.77) PPARGOPRK1CTSLCTSSATM

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-7160902-B2 Amide derivatives and methods of their use ADOLOR CORPORATION (US) 2007-01-09 US disclosed
US-7160902-B2 Amide derivatives and methods of their use ADOLOR CORPORATION (US) 2007-01-09 US disclosed
WO-2005049564-A1 AMIDE DERIVATIVES AND METHODS OF THEIR USE ADOLOR CORPORATION (US) 2005-06-02 WO disclosed
US-20050107355-A1 Amide derivatives and methods of their use CUBIST PHARMACEUTICALS, INC. 2005-05-19 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-20050107355-A1 Amide derivatives and methods of their use HRH2, SLC10A2, ALPI PPARG 356/4885OPRK1 16/4885CTSL 1279/4885

“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.