SCHEMBL5450049

SCHEMBL5450049

COc1cccc2c(C(=O)NCC(C)C)cn(CCCN3CCN(CCOc4ccc(Cl)c5ccccc45)CC3)c12

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 14/20 0.47
DRD3 P35462 2/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CNR1 P21554 2/20 0.39
FAAH O00519 1/20 0.39

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 0.88 CNR2 (0.52) CNR2DRD3CNR1
SCHEMBL5452419 0.88 CNR2 (0.46) CNR2LMNACNR1
SCHEMBL5441690 0.88 CNR2 (0.46) CNR2DRD3LMNA
SCHEMBL5441597 0.87 PDE10A (0.49) CNR2DRD3SMN1; SMN2
SCHEMBL5453562 0.87 PDE10A (0.45) CNR2DRD3
SCHEMBL5448781 0.87 PDE10A (0.49) CNR2DRD3
SCHEMBL5444287 0.87 CNR2 (0.45) CNR2DRD3LMNA
SCHEMBL14463927 0.85 CNR2 (0.42) CNR2DRD3LMNA
SCHEMBL5457344 0.84 MAPT (0.55) CNR2MAPTCNR1
SCHEMBL5450021 0.83 CNR2 (0.54) CNR2LMNAMAPTSMN1; SMN2

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 106/4885DRD3 2993/4885LMNA 3791/4885

“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.