SCHEMBL104849

SCHEMBL104849

CC(C)ON=C1CCCC1

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.33
CHRM1 P11229 1/20 0.33
MEN1 O00255 1/20 0.32
LMNA P02545 1/20 0.32
KMT2A Q03164 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
TSHR P16473 1/20 0.32
CASP1 P29466 1/20 0.32
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL11332380 0.97 TSHR (0.36) CHRM2CHRM1MEN1LMNAKMT2A
SCHEMBL7540286 0.97 TSHR (0.36) CHRM2CHRM1MEN1LMNAKMT2A
SCHEMBL13130680 0.78 CHRM2 (0.31) CHRM2CHRM1
SCHEMBL3275964 0.78 CHRM2 (0.31) CHRM2CHRM1
SCHEMBL11373180 0.75 MEN1 (0.32) MEN1LMNAKMT2ANPSR1TSHR
SCHEMBL11373956 0.73 MEN1 (0.31) MEN1LMNAKMT2ANPSR1TSHR
SCHEMBL10081295 0.72 CHRM2 (0.34) CHRM2CHRM1
SCHEMBL11381056 0.71 MEN1 (0.30) MEN1KMT2A
SCHEMBL13130688 0.70 CHRM2 (0.33) CHRM2CHRM1
SCHEMBL214300 0.69

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8563732-B2 Oxyimino compounds and the use thereof SHIONOGI & CO., LTD. (JP) 2013-10-22 US disclosed
US-20120059162-A1 FUSED IMIDAZOLE DERIVATIVE HAVING TTK INHIBITORY ACTION ONCOTHERAPY SCIENCE, INC. (JP) 2012-03-08 US disclosed
US-20120059162-A1 FUSED IMIDAZOLE DERIVATIVE HAVING TTK INHIBITORY ACTION ONCOTHERAPY SCIENCE, INC. (JP) 2012-03-08 US disclosed
US-20100240703-A1 OXYIMINO COMPOUNDS AND THE USE THEREOF PURDUE PHARMA L.P. 2010-09-23 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 (2 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-20120059162-A1 FUSED IMIDAZOLE DERIVATIVE HAVING TTK INHIBITORY ACTION NR0B1, GRK7, NR5A2 CHRM2 480/4885CHRM1 530/4885MEN1 3210/4885
US-20100240703-A1 OXYIMINO COMPOUNDS AND THE USE THEREOF CACNA1A, CACNA1S, OPRM1 CHRM2 105/4885CHRM1 38/4885MEN1 2609/4885

“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.