SCHEMBL5446343

SCHEMBL5446343

CCc1cccc2c(C(=O)NCc3ccccc3)cn(CCCN3CCCN(Cc4c(F)cccc4Cl)CC3)c12

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.47
LMNA P02545 2/20 0.46
PKM P14618 1/20 0.46
CACNA1G O43497 2/20 0.43
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
GAA P10253 1/20 0.41
ALDH1A1 P00352 2/20 0.41
ALOX15 P16050 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
DRD2 P14416 2/20 0.40
DRD4 P21917 2/20 0.40
DRD3 P35462 2/20 0.40
P2RX7 Q99572 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
FPR3 P25089 1/20 0.39
FPR2 P25090 1/20 0.39

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
SCHEMBL5443899 0.92 SIGMAR1 (0.42) SIGMAR1LMNAPKMCACNA1GNPC1
SCHEMBL5452665 0.88 PRKAA2 (0.44) LMNAALDH1A1
SCHEMBL5448772 0.85 LMNA (0.47) LMNAALDH1A1DRD4
SCHEMBL5453582 0.84 PDE10A (0.43) SIGMAR1LMNAPKMCACNA1GGAA
SCHEMBL5451427 0.84 PDE10A (0.48) SIGMAR1LMNAPKMCACNA1GGAA
SCHEMBL5444237 0.83 GAA (0.43) SIGMAR1LMNAPKMCACNA1GGAA
SCHEMBL5462847 0.82 CNR1 (0.43) CACNA1G
SCHEMBL14412038 0.82 LMNA (0.49) LMNAALDH1A1DRD4
SCHEMBL5442816 0.82 CNR2 (0.43) SIGMAR1LMNAPKMCACNA1GGAA
SCHEMBL5454281 0.82 PTPN7 (0.53) LMNANPC1RAB9AGAAALDH1A1

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 5 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
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 SIGMAR1 175/4885LMNA 3791/4885PKM 4015/4885

“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.