SCHEMBL15045825

SCHEMBL15045825

CNC(=O)NCC1COc2ccccc2C1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 2/20 0.50
TP53 P04637 5/20 0.47
ACLY P53396 1/20 0.47
MALT1 Q9UDY8 1/20 0.45
HDAC1 Q13547 1/20 0.45
HTR1A P08908 1/20 0.44
DRD2 P14416 1/20 0.44
DRD1 P21728 1/20 0.44
HTR1B P28222 1/20 0.44
HTR2A P28223 1/20 0.44
TRPV1 Q8NER1 1/20 0.44
SIGMAR1 Q99720 1/20 0.42
MAOB P27338 1/20 0.42

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
SCHEMBL19658437 0.86 MTNR1A (0.65) MTNR1ATP53ACLYMALT1HDAC1
SCHEMBL15045823 0.76 TP53 (0.60) MTNR1ATP53MALT1
SCHEMBL9692800 0.75 MALT1 (0.53) MTNR1ATP53ACLYMALT1HDAC1
SCHEMBL9692869 0.75 MALT1 (0.57) MTNR1ATP53MALT1HDAC1SIGMAR1
SCHEMBL6554292 0.74 SIGMAR1 (0.51) TP53ACLYMALT1HDAC1HTR1A
SCHEMBL27525681 0.74 SIGMAR1 (0.51) TP53ACLYMALT1HDAC1HTR1A
SCHEMBL30098372 0.73 TP53 (0.62) TP53HDAC1MAOB
SCHEMBL2247241 0.73 SIGMAR1 (0.52) TP53ACLYMALT1HDAC1HTR1A
SCHEMBL8354157 0.73 SIGMAR1 (0.52) TP53ACLYMALT1HDAC1HTR1A
SCHEMBL13572973 0.73 SIGMAR1 (0.52) TP53ACLYMALT1HDAC1HTR1A

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-8859584-B2 TRPV1 antagonists ABBVIE, INC. (US) 2014-10-14 US disclosed
US-20130158067-A1 TRPV1 Antagonists ABBVIE INC. (US) 2013-06-20 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-20130158067-A1 TRPV1 Antagonists TRPV1, NPY1R, MRGPRX1 MTNR1A 40/4885TP53 4493/4885ACLY 1352/4885

“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.