SCHEMBL12424611

SCHEMBL12424611

CCC1CCCN(CC(N)=O)C1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BCHE P06276 3/20 0.41
KDM4E B2RXH2 3/20 0.39
POLB P06746 1/20 0.39
PKM P14618 1/20 0.39
TSHR P16473 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.37
SIGMAR1 Q99720 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPK1 P28482 1/20 0.35
ACHE P22303 1/20 0.34
LMNA P02545 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL13036979 1.00 BCHE (0.41) BCHEKDM4EPOLBPKMTSHR
SCHEMBL16508743 0.89 SMN1; SMN2 (0.43) BCHEKDM4EPOLBPKMTSHR
SCHEMBL5773887 0.84 KDM4E (0.39) BCHEKDM4ESMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL13036980 0.84 KDM4E (0.39) BCHEKDM4ESMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL27597209 0.84 CYP2D6 (0.43) BCHEKDM4EPOLBPKMTSHR
SCHEMBL13036983 0.83 L3MBTL1 (0.53) BCHESMN1; SMN2L3MBTL1ALDH1A1LMNA
SCHEMBL16905075 0.80 KDM4E (0.42) KDM4EPOLBTSHRSIGMAR1L3MBTL1
SCHEMBL13036981 0.79 KDM4E (0.44) BCHEKDM4ESMN1; SMN2ALDH1A1ACHE
SCHEMBL26433884 0.79 L3MBTL1 (0.52) KDM4EPOLBSMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL15014507 0.79 L3MBTL1 (0.52) KDM4EPOLBSMN1; SMN2L3MBTL1ALDH1A1

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 BCHE 2929/4885KDM4E 2333/4885POLB 660/4885

“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.