SCHEMBL5453365

SCHEMBL5453365

COc1cccc2c(C(=O)C3CC3)cn(CCCN3CCN(CCOc4ccccc4)CC3)c12

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.57
ALDH1A1 P00352 1/20 0.57
NPSR1 Q6W5P4 1/20 0.57
THRB P10828 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
CNR2 P34972 7/20 0.46
DRD3 P35462 1/20 0.46
HRH3 Q9Y5N1 1/20 0.46
TP53 P04637 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
CNR1 P21554 3/20 0.44
TSHR P16473 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44

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
SCHEMBL5461530 0.92 TP53 (0.53) MAPTALDH1A1NPSR1THRBSMN1; SMN2
SCHEMBL5463245 0.87 CNR2 (0.52) CNR2DRD3CNR1TSHRL3MBTL1
SCHEMBL5457344 0.87 MAPT (0.55) MAPTALDH1A1NPSR1CNR2MEN1
SCHEMBL5447876 0.86 ALDH1A1 (0.55) MAPTALDH1A1NPSR1CNR2MEN1
SCHEMBL5443156 0.86 CNR2 (0.59) ALDH1A1SMN1; SMN2CNR2DRD3MEN1
SCHEMBL5463442 0.86 MAPT (0.57) MAPTALDH1A1NPSR1THRBSMN1; SMN2
SCHEMBL5457566 0.85 ALDH1A1 (0.52) MAPTALDH1A1NPSR1CNR2CNR1
SCHEMBL5457594 0.84 MAPT (0.49) MAPTALDH1A1NPSR1THRBSMN1; SMN2
SCHEMBL14464376 0.84 MAPT (0.49) MAPTALDH1A1NPSR1CNR2MEN1
SCHEMBL5456337 0.84 ALDH1A1 (0.54) MAPTALDH1A1NPSR1CNR2MEN1

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.