SCHEMBL14935609

SCHEMBL14935609

CC(C)(C)OC(=O)N1CCN(c2ncc(CCC3COC(C)(C)O3)cc2Cl)CC1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
ALK Q9UM73 3/20 0.41
NR1H2 P55055 1/20 0.39
NR1H3 Q13133 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.38
HTT P42858 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
GPR119 Q8TDV5 4/20 0.37
CNR1 P21554 1/20 0.36
CNR2 P34972 1/20 0.36
MAPT P10636 1/20 0.36
TSHR P16473 1/20 0.36
LMNA P02545 1/20 0.35
KIT P10721 1/20 0.35
P2RY12 Q9H244 1/20 0.35

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
SCHEMBL12074440 1.00 MEN1 (0.42) MEN1KMT2AALKNR1H2NR1H3
SCHEMBL14936065 0.90 ALK (0.42) ALKHTTGPR119MAPTKIT
SCHEMBL9999110 0.90 ALK (0.42) ALKHTTGPR119MAPTKIT
SCHEMBL14936024 0.81 TRPV1 (0.43)
SCHEMBL14935781 0.81 TRPV1 (0.43)
SCHEMBL14935782 0.81 TRPV1 (0.43)
SCHEMBL19212337 0.79 MEN1 (0.51) MEN1KMT2ANR1H2NR1H3SMN1; SMN2
SCHEMBL899444 0.78 MEN1 (0.54) MEN1KMT2ANR1H2NR1H3SMN1; SMN2
SCHEMBL30223144 0.78 MEN1 (0.54) MEN1KMT2ANR1H2NR1H3SMN1; SMN2
SCHEMBL29268346 0.75 MEN1 (0.50) MEN1KMT2ANR1H2NR1H3SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8921373-B2 Compounds having TRPV1 antagonistic activity and uses thereof SHIONOGI & CO., LTD. (JP) 2014-12-30 US disclosed
US-20130123239-A1 COMPOUNDS HAVING TRPV1 ANTAGONISTIC ACTIVITY AND USES THEREOF PURDUE PHARMA L.P. 2013-05-16 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-20130123239-A1 COMPOUNDS HAVING TRPV1 ANTAGONISTIC ACTIVITY AND USES THEREOF TRPV1, TRPA1, TRPV2 MEN1 4737/4885KMT2A 4676/4885ALK 3911/4885

“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.