SCHEMBL5332422

SCHEMBL5332422

COC(=O)c1cn(CCCN2CCN(c3cccc(Cl)c3)CC2)c2ccccc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 3/20 0.54
DRD3 P35462 1/20 0.54
KCNH2 Q12809 2/20 0.53
HTR1A P08908 4/20 0.53
LMNA P02545 1/20 0.53
MAPT P10636 1/20 0.53
DRD4 P21917 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
ALDH1A1 P00352 2/20 0.51
HPGD P15428 1/20 0.51
ALOX15 P16050 1/20 0.51
HSD17B10 Q99714 1/20 0.51
MEN1 O00255 1/20 0.51
USP2 O75604 1/20 0.51
KMT2A Q03164 1/20 0.51
NR4A2 P43354 1/20 0.51
HTR7 P34969 2/20 0.51
HTR2A P28223 1/20 0.51
HTR6 P50406 1/20 0.51
CNR1 P21554 1/20 0.51

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
SCHEMBL5448134 0.90 CNR1 (0.55) DRD2DRD3HTR1ALMNAMAPT
SCHEMBL5452278 0.90 CNR1 (0.59) DRD2DRD3LMNAMAPTDRD4
SCHEMBL5449203 0.88 HTR1A (0.49) DRD2DRD3KCNH2HTR1ALMNA
Hydrochloric Acid SCHEMBL5444470 0.84 ADRA1D (0.60) DRD2DRD3LMNAMAPTDRD4
SCHEMBL14464389 0.83 NR4A2 (0.46) LMNAMAPTL3MBTL1ALDH1A1HPGD
SCHEMBL5456168 0.81 L3MBTL1 (0.61) LMNAMAPTL3MBTL1NR4A2CNR1
SCHEMBL5446521 0.81 HTR1A (0.55) HTR1ALMNAMAPTL3MBTL1NR4A2
Hydrochloric Acid SCHEMBL5454682 0.81 NR4A2 (0.52) DRD2HTR1ALMNAMAPTL3MBTL1
SCHEMBL5449197 0.79 NR4A2 (0.57) LMNAMAPTL3MBTL1ALDH1A1MEN1
SCHEMBL5450991 0.79 NR4A2 (0.60) LMNAMAPTL3MBTL1MEN1KMT2A

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 2 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
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 DRD2 2688/4885DRD3 2993/4885KCNH2 4294/4885

“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.