SCHEMBL5450018

SCHEMBL5450018

COc1cccc2c(C(=O)NCC(C)C)cn(CCCNCCOc3ccccc3)c12

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 9/20 0.47
KMT2A Q03164 1/20 0.43
PTPN7 P35236 2/20 0.43
TSHR P16473 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
ALDH1A1 P00352 3/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
DRD2 P14416 1/20 0.41
DRD4 P21917 1/20 0.41
DRD3 P35462 1/20 0.41
CASR P41180 1/20 0.41
KDM4E B2RXH2 2/20 0.41
HPGD P15428 1/20 0.41
GAA P10253 1/20 0.40
KCNA3 P22001 1/20 0.40

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
SCHEMBL5448714 0.86 CNR2 (0.52) CNR2PTPN7TSHRL3MBTL1DRD2
SCHEMBL5444357 0.85 PTPN7 (0.49) CNR2PTPN7DRD2DRD4KDM4E
SCHEMBL5449584 0.85 CNR2 (0.53) CNR2PTPN7TSHRL3MBTL1ALDH1A1
SCHEMBL5446504 0.84 PDE10A (0.53) CNR2KMT2APTPN7DRD2DRD4
SCHEMBL5334513 0.83 CNR2 (0.52) CNR2KMT2AALDH1A1SMN1; SMN2
SCHEMBL5444542 0.83 CNR2 (0.60) CNR2KMT2ATSHRL3MBTL1ALDH1A1
SCHEMBL5463442 0.82 MAPT (0.57) CNR2KMT2ATSHRL3MBTL1ALDH1A1
SCHEMBL5441690 0.79 CNR2 (0.46) CNR2KMT2AL3MBTL1ALDH1A1DRD2
SCHEMBL5460369 0.79 CNR2 (0.49) CNR2
SCHEMBL14411390 0.77 SMN1; SMN2 (0.46) CNR2KMT2APTPN7TSHRL3MBTL1

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 4056/4885PTPN7 592/4885

“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.