SCHEMBL2582971

SCHEMBL2582971

COC(=O)C1CCC(C(=O)NCC=O)CC1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.53
TRPA1 O75762 1/20 0.45
GAA P10253 1/20 0.41
NPSR1 Q6W5P4 1/20 0.40
TP53 P04637 1/20 0.40
CHRNB2 P17787 2/20 0.39
CHRNA4 P43681 2/20 0.39
CHRNB4 P30926 1/20 0.39
CHRNA3 P32297 1/20 0.39
CHRNA7 P36544 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.38
HSD17B10 Q99714 1/20 0.38
MTNR1A P48039 3/20 0.36
MTNR1B P49286 3/20 0.36
POLB P06746 1/20 0.36
ALDH1A1 P00352 2/20 0.36

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
SCHEMBL2582969 1.00 KMT2A (0.53) KMT2ATRPA1GAANPSR1TP53
SCHEMBL28042554 0.81 KMT2A (0.57) KMT2ATRPA1GAANPSR1SMN1; SMN2
SCHEMBL3578682 0.81 GAA (0.47) KMT2ATRPA1GAATP53CHRNB2
SCHEMBL3578679 0.81 GAA (0.47) KMT2ATRPA1GAATP53CHRNB2
SCHEMBL19142955 0.80 KMT2A (0.55) KMT2ATRPA1NPSR1SMN1; SMN2HSD17B10
SCHEMBL15059606 0.80 KMT2A (0.55) KMT2ATRPA1NPSR1SMN1; SMN2HSD17B10
SCHEMBL19852871 0.79 EPHX1 (0.57) KMT2ATRPA1SMN1; SMN2HSD17B10MTNR1A
SCHEMBL19248304 0.79 EPHX1 (0.57) KMT2ATRPA1SMN1; SMN2HSD17B10MTNR1A
SCHEMBL2576767 0.78 KMT2A (0.44) KMT2ATRPA1GAATP53CHRNB2
SCHEMBL2576766 0.78 KMT2A (0.44) KMT2ATRPA1GAATP53CHRNB2

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-2569319-B1 HETEROARYL-CYCLOHEXYL-TETRAAZABENZO[E]AZULENES HOFFMANN LA ROCHE (CH) 2014-09-24 EP disclosed
US-8513238-B2 Heteroaryl-cyclohexyl-tetraazabenzo[E]azulenes HOFFMANN-LA ROCHE INC. (US) 2013-08-20 US disclosed
EP-2569319-A1 HETEROARYL-CYCLOHEXYL-TETRAAZABENZO[E]AZULENES F.HOFFMANN-LA ROCHE AG (CH) 2013-03-20 EP disclosed
WO-2011141396-A1 HETEROARYL-CYCLOHEXYL-TETRAAZABENZO[E]AZULENES F. HOFFMANN-LA ROCHE AG (CH) 2011-11-17 WO disclosed
US-20110275801-A1 HETEROARYL-CYCLOHEXYL-TETRAAZABENZO[E]AZULENES HOFFMANN-LA ROCHE, INC. 2011-11-10 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-20110275801-A1 HETEROARYL-CYCLOHEXYL-TETRAAZABENZO[E]AZULENES AVPR1A, AVPR1B, OXTR KMT2A 2969/4885TRPA1 2345/4885GAA 4397/4885

“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.