SCHEMBL15469067

SCHEMBL15469067

CC(C)c1cccn(CC(=O)O)c1=O

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.45
ALDH1A1 P00352 3/20 0.45
MAPT P10636 2/20 0.45
MEN1 O00255 2/20 0.45
LMNA P02545 1/20 0.45
ALOX12 P18054 1/20 0.45
RECQL P46063 1/20 0.45
PTGS2 P35354 1/20 0.42
KDM4E B2RXH2 1/20 0.40
POLB P06746 1/20 0.40
ELANE P08246 2/20 0.39
IL1RN P18510 1/20 0.38
ERAP2 Q6P179 1/20 0.38
ERAP1 Q9NZ08 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
SCHEMBL15468983 0.87 PTGS2 (0.39) KMT2AALDH1A1MAPTMEN1LMNA
SCHEMBL15468956 0.83 KDM4E (0.46) KMT2AALDH1A1MAPTKDM4EELANE
SCHEMBL5122828 0.79 HDAC6 (0.40) KMT2AALDH1A1LMNAKDM4EELANE
SCHEMBL12740527 0.79 ALDH1A1 (0.50) KMT2AALDH1A1MAPTMEN1LMNA
SCHEMBL10308822 0.79 FAAH (0.38) KMT2AALDH1A1LMNAPTGS2KDM4E
SCHEMBL23995703 0.78 GABRA1 (0.40) KMT2AMEN1LMNAPTGS2
SCHEMBL4592116 0.77 MAPT (0.49) KMT2AALDH1A1MAPTMEN1LMNA
SCHEMBL15468948 0.76 PTGS2 (0.36) KMT2AMEN1LMNAPTGS2ELANE
SCHEMBL38658722 0.76 ITGB1 (0.42) KMT2AALDH1A1MAPTMEN1LMNA
SCHEMBL21602088 0.76 NPC1 (0.41) ALDH1A1MAPTPTGS2POLB

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
EP-2880033-B1 CYCLIC UREA- OR LACTAM-SUBSTITUTED QUINOXALINE-TYPE PIPERIDINE COMPOUNDS AND THE USES THEREOF PURDUE PHARMA LP (US) 2020-06-17 EP disclosed
US-9085561-B2 Cyclic urea- or lactam-substituted quinoxaline-type piperidines as ORL-1 modulators PURDUE PHARMA L.P. (US) 2015-07-21 US disclosed
US-20140045830-A1 CYCLIC UREA- OR LACTAM-SUBSTITUTED QUINOXALINE-TYPE PIPERIDINE COMPOUNDS AND USES THEREOF SHIONOGI & CO., LTD. (JP) 2014-02-13 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-20140045830-A1 CYCLIC UREA- OR LACTAM-SUBSTITUTED QUINOXALINE-TYPE PIPERIDINE COMPOUNDS AND USES THEREOF QPCT, UBXN1, NQO2 KMT2A 2129/4885ALDH1A1 1232/4885MAPT 3443/4885

“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.