SCHEMBL5452441

SCHEMBL5452441

COc1cccc2c(C(=O)C3CC3)cn(CCCN3C4CCC3CC(CC(=O)c3ccc(Cl)cc3)C4)c12

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.45
MAPT P10636 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
CNR2 P34972 10/20 0.42
CNR1 P21554 8/20 0.42
DRD2 P14416 1/20 0.40
DRD4 P21917 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
MGLL Q99685 1/20 0.38
TP53 P04637 1/20 0.37

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
SCHEMBL5450958 0.93 ALDH1A1 (0.49) ALDH1A1MAPTNPSR1CNR2CNR1
SCHEMBL5443925 0.90 CNR2 (0.45) MAPTCNR2CNR1DRD2DRD4
SCHEMBL5456474 0.88 CNR2 (0.51) CNR2CNR1DRD2DRD4
SCHEMBL5446550 0.87 ALDH1A1 (0.45) ALDH1A1MAPTNPSR1CNR2CNR1
SCHEMBL5456169 0.86 CNR2 (0.46) CNR2CNR1DRD2DRD4
SCHEMBL5445314 0.86 DRD2 (0.40) MAPTNPSR1CNR2DRD2DRD4
SCHEMBL5454570 0.85 PDE10A (0.44) ALDH1A1MAPTCNR2DRD2DRD4
SCHEMBL14411452 0.85 PDE10A (0.44) ALDH1A1MAPTCNR2DRD2DRD4
SCHEMBL5454568 0.85 PDE10A (0.44) ALDH1A1MAPTCNR2DRD2DRD4
SCHEMBL5454582 0.85 MAPT (0.47) ALDH1A1MAPTNPSR1CNR2CNR1

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 ALDH1A1 2963/4885MAPT 4523/4885NPSR1 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.