SCHEMBL5451336

SCHEMBL5451336

COc1cccc2c(C(=O)NCc3ccccc3C)cn(CCCCl)c12

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 4/20 0.56
CNR2 P34972 8/20 0.49
ALDH1A1 P00352 2/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
HPGD P15428 3/20 0.46
TP53 P04637 1/20 0.46
GAA P10253 1/20 0.46
THRB P10828 1/20 0.46
POLB P06746 1/20 0.44
TACR1 P25103 1/20 0.44
HTT P42858 1/20 0.43

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
SCHEMBL5337000 0.85 PDE10A (0.50) PDE10ACNR2ALDH1A1HPGDTP53
SCHEMBL5454595 0.84 PDE10A (0.49) PDE10ACNR2ALDH1A1MEN1KMT2A
SCHEMBL5452079 0.84 PDE10A (0.48) PDE10ACNR2ALDH1A1MEN1KMT2A
SCHEMBL5452085 0.83 CNR2 (0.51) PDE10ACNR2ALDH1A1MEN1KMT2A
SCHEMBL5455214 0.83 PDE10A (0.46) PDE10ACNR2ALDH1A1MEN1KMT2A
SCHEMBL5336450 0.83 PDE10A (0.62) PDE10ACNR2KMT2ATP53THRB
SCHEMBL5317786 0.83 PDE10A (0.62) PDE10ACNR2TP53
SCHEMBL5450975 0.83 PDE10A (0.47) PDE10ACNR2ALDH1A1KMT2ATP53
SCHEMBL5453562 0.82 PDE10A (0.45) PDE10ACNR2ALDH1A1MEN1KMT2A
SCHEMBL5334513 0.82 CNR2 (0.52) PDE10ACNR2ALDH1A1KMT2ATP53

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 4 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
WO-2007079239-A2 BICYCLIC NITROGEN COMPOUNDS AS MODULATORS OF GHRELIN RECEPTOR AND USES THEREOF ACADIA PHARMACEUTICALS INC. (US) 2007-07-12 WO 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 PDE10A 514/4885CNR2 106/4885ALDH1A1 2963/4885

“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.