SCHEMBL5457344

SCHEMBL5457344

COc1cccc2c(C(=O)C3CC3)cn(CCCN3CCN(CCOc4ccc(Cl)c5ccccc45)CC3)c12

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.55
ALDH1A1 P00352 2/20 0.55
NPSR1 Q6W5P4 1/20 0.55
CNR2 P34972 7/20 0.43
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
CNR1 P21554 4/20 0.41
HRH2 P25021 1/20 0.41
GAA P10253 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
PRPS1 P60891 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
SCHEMBL5453365 0.87 MAPT (0.57) MAPTALDH1A1NPSR1CNR2KMT2A
SCHEMBL5461530 0.87 TP53 (0.53) MAPTALDH1A1NPSR1CNR2KMT2A
SCHEMBL5450021 0.86 CNR2 (0.54) MAPTALDH1A1CNR2KMT2AMEN1
SCHEMBL5450049 0.84 CNR2 (0.47) MAPTCNR2CNR1
SCHEMBL14464376 0.84 MAPT (0.49) MAPTALDH1A1NPSR1CNR2KMT2A
SCHEMBL5453562 0.84 PDE10A (0.45) ALDH1A1CNR2KMT2AMEN1HRH2
SCHEMBL5454713 0.83 ALDH1A1 (0.52) MAPTALDH1A1NPSR1CNR2KMT2A
SCHEMBL5452419 0.83 CNR2 (0.46) CNR2CNR1
SCHEMBL5446352 0.83 ALDH1A1 (0.49) MAPTALDH1A1NPSR1CNR2KMT2A
SCHEMBL5441597 0.82 PDE10A (0.49) ALDH1A1CNR2KMT2AMEN1L3MBTL1

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 MAPT 4523/4885ALDH1A1 2963/4885NPSR1 33/4885

“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.