SCHEMBL12424499

SCHEMBL12424499

CCC1CCN(C(=O)c2ccnn2C)CC1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.56
PKM P14618 2/20 0.56
KMT2A Q03164 2/20 0.50
ATM Q13315 1/20 0.46
CYP11B1 P15538 2/20 0.45
CYP11B2 P19099 2/20 0.45
ALDH1A1 P00352 2/20 0.45
LMNA P02545 2/20 0.45
PIK3CD O00329 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.41
HTR2A P28223 1/20 0.41
HTR2C P28335 1/20 0.41

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
SCHEMBL15014509 0.84 KDM4E (0.59) KDM4EPKMKMT2AATMALDH1A1
SCHEMBL12385781 0.83 KDM4E (0.56) KDM4EPKMKMT2AATMCYP11B1
SCHEMBL12384440 0.80 KDM4E (0.56) KDM4EPKMKMT2AATMCYP11B1
SCHEMBL12108494 0.80 KDM4E (0.66) KDM4EPKMKMT2AATMALDH1A1
SCHEMBL13779928 0.79 KDM4E (0.68) KDM4EPKMKMT2AATMALDH1A1
SCHEMBL27228782 0.77 KDM4E (0.62) KDM4EPKMKMT2AATMALDH1A1
SCHEMBL8432259 0.76 RECQL (0.54) KDM4EALDH1A1LMNA
SCHEMBL10720485 0.75 L3MBTL3 (0.59) KMT2AALDH1A1L3MBTL1
SCHEMBL8434467 0.74 CHRM2 (0.55) KMT2AALDH1A1PIK3CD
SCHEMBL14730733 0.74 KDM4E (0.55) KDM4EPKMKMT2AATMALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110201593-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2011-08-18 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-20110201593-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF CCNY, CCNA1, CCNA2 KDM4E 2333/4885PKM 1313/4885KMT2A 1997/4885

“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.