SCHEMBL5345446

SCHEMBL5345446

CCc1cccc2c(C(C)=O)cn(CCCNCCOc3ccccc3)c12

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.57
SMN1; SMN2 Q16637 3/20 0.57
L3MBTL1 Q9Y468 2/20 0.46
TSHR P16473 2/20 0.46
PKM P14618 1/20 0.45
DRD2 P14416 6/20 0.44
DRD4 P21917 6/20 0.44
DRD3 P35462 5/20 0.44
PTPN7 P35236 2/20 0.43
KMT2A Q03164 1/20 0.42
DUSP3 P51452 1/20 0.41
GAA P10253 2/20 0.41
CNR1 P21554 1/20 0.41
CNR2 P34972 1/20 0.41
RECQL P46063 1/20 0.40
KDM4E B2RXH2 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
SCHEMBL5446839 0.89 SMN1; SMN2 (0.58) ALDH1A1SMN1; SMN2L3MBTL1TSHRPKM
SCHEMBL5457605 0.88 SMN1; SMN2 (0.57) ALDH1A1SMN1; SMN2L3MBTL1TSHRPKM
SCHEMBL5454690 0.88 SMN1; SMN2 (0.57) ALDH1A1SMN1; SMN2L3MBTL1TSHRPKM
SCHEMBL14411398 0.85 SMN1; SMN2 (0.54) ALDH1A1SMN1; SMN2L3MBTL1TSHRPKM
SCHEMBL5455205 0.83 ALDH1A1 (0.56) ALDH1A1SMN1; SMN2L3MBTL1TSHRPKM
SCHEMBL5451167 0.78 SMN1; SMN2 (0.46) ALDH1A1SMN1; SMN2L3MBTL1TSHRPKM
SCHEMBL5449584 0.78 CNR2 (0.53) ALDH1A1SMN1; SMN2L3MBTL1TSHRDRD2
SCHEMBL5444542 0.76 CNR2 (0.60) ALDH1A1SMN1; SMN2L3MBTL1TSHRDRD2
SCHEMBL5463442 0.76 MAPT (0.57) ALDH1A1SMN1; SMN2L3MBTL1TSHRDRD2
SCHEMBL5447266 0.75 MEN1 (0.50) ALDH1A1SMN1; SMN2L3MBTL1DRD2DRD3

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-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
WO-2007079239-A2 BICYCLIC NITROGEN COMPOUNDS AS MODULATORS OF GHRELIN RECEPTOR AND USES THEREOF ACADIA PHARMACEUTICALS INC. (US) 2007-07-12 WO 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 ALDH1A1 2963/4885SMN1; SMN2 1701/4885L3MBTL1 4494/4885

“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.