SCHEMBL5454736

SCHEMBL5454736

COc1cccc2c(C(C)=O)cn(CCCN3CCC(O)(Cc4ccccc4)CC3)c12

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 15/20 0.49
KMT2A Q03164 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
AVPR1A P37288 1/20 0.45
SLC6A2 P23975 1/20 0.43
SLC6A4 P31645 1/20 0.43
CNR1 P21554 3/20 0.42
SLC6A1 P30531 1/20 0.42
SLC6A12 P48065 1/20 0.42
SLC6A11 P48066 1/20 0.42
SLC6A13 Q9NSD5 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
SCHEMBL5459929 0.83 CNR2 (0.46) CNR2KMT2ASMN1; SMN2
SCHEMBL5448723 0.83 MEN1 (0.59) CNR2KMT2ASLC6A2SLC6A4
SCHEMBL5461394 0.82 SMN1; SMN2 (0.54) CNR2KMT2ASMN1; SMN2AVPR1ACNR1
SCHEMBL14411105 0.79 CNR2 (0.50) CNR2KMT2ASMN1; SMN2CNR1
SCHEMBL14410968 0.79 KCNH2 (0.50) CNR2KMT2ASMN1; SMN2
SCHEMBL14411145 0.79 OPRM1 (0.53) KMT2ASMN1; SMN2AVPR1ASLC6A2SLC6A4
SCHEMBL14410967 0.79 DRD2 (0.52) CNR2KMT2ASMN1; SMN2CNR1
SCHEMBL5444412 0.79 CNR2 (0.51) CNR2KMT2ASMN1; SMN2CNR1
SCHEMBL5444161 0.78 ADRA1D (0.51) CNR2CNR1
SCHEMBL5453731 0.77 CNR2 (0.48) CNR2KMT2ASMN1; SMN2CNR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070213359-A1 BICYCLIC-NITROGEN COMPOUNDS AS MODULATORS OF GHRELIN RECEPTOR AND USES THEREOF ACADIA PHARMACEUTICALS INC. (US) 2007-09-13 US disclosed
US-20070213359-A1 BICYCLIC-NITROGEN COMPOUNDS AS MODULATORS OF GHRELIN RECEPTOR AND USES THEREOF ACADIA PHARMACEUTICALS INC. (US) 2007-09-13 US disclosed
US-20070213359-A1 BICYCLIC-NITROGEN COMPOUNDS AS MODULATORS OF GHRELIN RECEPTOR AND USES THEREOF ACADIA PHARMACEUTICALS INC. (US) 2007-09-13 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-20070213359-A1 BICYCLIC-NITROGEN COMPOUNDS AS MODULATORS OF GHRELIN RECEPTOR AND USES THEREOF GIPR, GHSR, GHRHR CNR2 106/4885KMT2A 4056/4885SMN1; SMN2 1701/4885

“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.