SCHEMBL12464452

SCHEMBL12464452

CCN1CCC(N2CCC(C)(O)CC2)CC1

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.40
ACHE P22303 4/20 0.35
CHRM4 P08173 1/20 0.33
TLR9 Q9NR96 1/20 0.33
TLR7 Q9NYK1 1/20 0.33
EPHX1 P07099 2/20 0.33
EPHX2 P34913 1/20 0.33
KDM4E B2RXH2 1/20 0.33
POLB P06746 1/20 0.33
HSD11B1 P28845 1/20 0.33

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
SCHEMBL18202976 0.86 KMT2A (0.45) KMT2ASMN1; SMN2ACHECHRM4TLR9
SCHEMBL17176550 0.83 KMT2A (0.43) KMT2ASMN1; SMN2ACHECHRM4TLR9
SCHEMBL7858206 0.81 KDM4E (0.40) KMT2ASMN1; SMN2KDM4EHSD11B1
SCHEMBL18608956 0.80 KMT2A (0.41) KMT2ASMN1; SMN2ACHE
SCHEMBL18199687 0.80 KMT2A (0.41) KMT2ASMN1; SMN2ACHECHRM4HSD11B1
SCHEMBL11919058 0.79 KMT2A (0.56) KMT2ASMN1; SMN2ACHECHRM4KDM4E
SCHEMBL11919045 0.79 KMT2A (0.56) KMT2ASMN1; SMN2ACHECHRM4HSD11B1
SCHEMBL27267682 0.78 KMT2A (0.42) KMT2ASMN1; SMN2ACHETLR9TLR7
SCHEMBL15806910 0.78 ALDH1A1 (0.41) KMT2ASMN1; SMN2KDM4E
SCHEMBL13548824 0.77 KMT2A (0.50) KMT2ASMN1; SMN2HSD11B1

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-20110183938-A1 1,7-DIAZACARBAZOLES AND METHODS OF USE GENENTECH, INC. (US) 2011-07-28 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-20110183938-A1 1,7-DIAZACARBAZOLES AND METHODS OF USE CHEK1, CHEK2, BUB1B KMT2A 2280/4885SMN1; SMN2 2262/4885ACHE 4115/4885

“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.