SCHEMBL166256

SCHEMBL166256

CC(C)(C)OC(=O)N1CCC(C(=O)NCC(=O)c2ccc([N+](=O)[O-])cc2)CC1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.55
LMNA P02545 2/20 0.55
MAPT P10636 1/20 0.55
KMT2A Q03164 6/20 0.51
PKM P14618 2/20 0.51
TAAR1 Q96RJ0 1/20 0.51
HTT P42858 1/20 0.49
PTPN2 P17706 1/20 0.49
PTPN1 P18031 1/20 0.49
PTPN6 P29350 1/20 0.49
ABL1 P00519 1/20 0.48
RIN1 Q13671 1/20 0.48
EPHX2 P34913 2/20 0.47
STS P08842 3/20 0.47
KDM4E B2RXH2 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
SCHEMBL17151686 0.85 KMT2A (0.55) KMT2APKMHTTPTPN2PTPN1
SCHEMBL311341 0.85 KDM4E (0.63) KMT2APKMHTTPTPN2PTPN1
SCHEMBL27208475 0.83 ALDH1A1 (0.67) ALDH1A1LMNAMAPTKMT2APKM
SCHEMBL311411 0.83 KMT2A (0.55) ALDH1A1MAPTKMT2APKMHTT
SCHEMBL174525 0.82 ATM (0.44) ALDH1A1LMNAMAPTKMT2APKM
SCHEMBL203532 0.80 KMT2A (0.50) KMT2APKMHTTPTPN2PTPN1
SCHEMBL168728 0.79 MAPT (0.54) ALDH1A1MAPTKMT2APKMTAAR1
SCHEMBL29227503 0.78 ALDH1A1 (0.56) ALDH1A1LMNAMAPTKMT2AHTT
SCHEMBL27214747 0.78 ALDH1A1 (0.56) ALDH1A1LMNAMAPTKMT2AHTT
SCHEMBL7696193 0.78 KMT2A (0.49) ALDH1A1LMNAMAPTKMT2AHTT

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2611783-A2 HETEROCYCLIC COMPOUNDS AS DGAT1 INHIBITORS Piramal Enterprises Limited (IN) 2013-07-10 EP disclosed
US-20130158075-A1 HETEROCYCLIC COMPOUNDS AS DGAT1 INHIBITORS Piramal Enterprises Limited (IN) 2013-06-20 US disclosed
US-20130158075-A1 HETEROCYCLIC COMPOUNDS AS DGAT1 INHIBITORS Piramal Enterprises Limited (IN) 2013-06-20 US disclosed
WO-2012029032-A2 HETEROCYCLIC COMPOUNDS AS DGAT1 INHIBITORS PIRAMAL LIFE SCIENCES LIMITED (IN) 2012-03-08 WO disclosed
WO-2012029032-A2 HETEROCYCLIC COMPOUNDS AS DGAT1 INHIBITORS PIRAMAL LIFE SCIENCES LIMITED (IN) 2012-03-08 WO 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-20130158075-A1 HETEROCYCLIC COMPOUNDS AS DGAT1 INHIBITORS DGAT1, DGAT2, SOAT1 ALDH1A1 369/4885LMNA 2076/4885MAPT 137/4885

“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.