SCHEMBL5453582

SCHEMBL5453582

COc1cccc2c(C(=O)NCc3ccccc3C)cn(CCCN3CCCN(Cc4c(F)cccc4Cl)CC3)c12

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 6/20 0.43
CFD P00746 1/20 0.43
SIGMAR1 Q99720 2/20 0.42
P2RX7 Q99572 1/20 0.42
ALDH1A1 P00352 2/20 0.41
CNR2 P34972 3/20 0.41
LMNA P02545 1/20 0.41
PKM P14618 1/20 0.41
ACHE P22303 1/20 0.40
GAA P10253 1/20 0.40
CACNA1G O43497 1/20 0.40
ALOX15 P16050 1/20 0.40
TDP1 Q9NUW8 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
SCHEMBL5451253 0.90 CNR2 (0.47) PDE10AALDH1A1CNR2LMNA
SCHEMBL5444237 0.89 GAA (0.43) PDE10ACFDSIGMAR1ALDH1A1CNR2
SCHEMBL5451427 0.89 PDE10A (0.48) PDE10ACFDSIGMAR1CNR2LMNA
SCHEMBL5442816 0.88 CNR2 (0.43) PDE10ASIGMAR1CNR2LMNAPKM
SCHEMBL14411446 0.84 PDE10A (0.45) PDE10AALDH1A1CNR2LMNA
SCHEMBL5446343 0.84 SIGMAR1 (0.47) SIGMAR1P2RX7ALDH1A1LMNAPKM
SCHEMBL5453856 0.84 CNR2 (0.49) PDE10ASIGMAR1ALDH1A1CNR2LMNA
SCHEMBL5450975 0.83 PDE10A (0.47) PDE10AALDH1A1CNR2GAA
SCHEMBL5454395 0.83 PDE10A (0.46) PDE10ACNR2GAA
SCHEMBL5453707 0.82 PDE10A (0.46) PDE10ACNR2LMNA

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 514/4885CFD 3529/4885SIGMAR1 175/4885

“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.