SCHEMBL5451102

SCHEMBL5451102

COc1cccc2c(C(C)=O)cn(CCCN3CCN(c4ccc(F)cc4)CC3)c12

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 5/20 0.54
ALOX15 P16050 1/20 0.48
ABCB1 P08183 1/20 0.47
ALDH1A1 P00352 2/20 0.46
POLB P06746 1/20 0.46
KMT2A Q03164 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
DRD4 P21917 1/20 0.46
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
MAPT P10636 1/20 0.45
CYP2C19 P33261 1/20 0.45
KDM4E B2RXH2 1/20 0.45
LMNA P02545 1/20 0.45
MAPK1 P28482 1/20 0.45
HTR4 Q13639 1/20 0.45
DRD2 P14416 1/20 0.45
DRD3 P35462 1/20 0.45

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
SCHEMBL5461540 0.93 CNR2 (0.46) CNR2KMT2ASMN1; SMN2DRD4DRD2
SCHEMBL5452426 0.90 DRD2 (0.46) CNR2KMT2ASMN1; SMN2DRD2DRD3
SCHEMBL14410921 0.88 L3MBTL1 (0.54) ALOX15ALDH1A1KMT2ASMN1; SMN2MAPT
SCHEMBL5453731 0.86 CNR2 (0.48) CNR2KMT2ASMN1; SMN2DRD3
SCHEMBL14410883 0.86 CNR2 (0.56) CNR2POLBKMT2ASMN1; SMN2MAPK1
SCHEMBL5444161 0.85 ADRA1D (0.51) CNR2DRD4HTR4DRD2DRD3
SCHEMBL5453531 0.83 DRD3 (0.54) DRD4DRD2DRD3
SCHEMBL5340671 0.83 CNR2 (0.51) CNR2KMT2ASMN1; SMN2
SCHEMBL5444412 0.82 CNR2 (0.51) CNR2ALDH1A1POLBKMT2ASMN1; SMN2
SCHEMBL5444160 0.81 ALDH1A1 (0.45) CNR2ALDH1A1KMT2ASMN1; SMN2DRD2

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 106/4885ALOX15 2011/4885ABCB1 2785/4885

“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.