SCHEMBL5457838

SCHEMBL5457838

CCc1cccc2c(C(=O)NCc3ccccc3)cn(CCCCl)c12

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.55
BRD4 O60885 1/20 0.50
PTPN7 P35236 1/20 0.49
PDE10A Q9Y233 1/20 0.47
GAA P10253 1/20 0.45
HPGD P15428 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
CNR2 P34972 4/20 0.45
CNR1 P21554 3/20 0.45
HDAC1 Q13547 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
NR3C1 P04150 1/20 0.43
EGLN3 Q9H6Z9 1/20 0.43
ESR1 P03372 1/20 0.42
MAPT P10636 1/20 0.42
MAPK10 P53779 1/20 0.42
KMT2A Q03164 1/20 0.42
NSD2 O96028 2/20 0.42

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
SCHEMBL5453781 0.87 CNR1 (0.51) LMNAPDE10AHPGDCNR2CNR1
SCHEMBL14412038 0.84 LMNA (0.49) LMNABRD4PTPN7PDE10ACNR2
SCHEMBL5457236 0.83 PTPN7 (0.56) LMNABRD4PTPN7PDE10AGAA
SCHEMBL5452038 0.82 PTPN7 (0.57) LMNABRD4PTPN7PDE10AGAA
SCHEMBL5448772 0.81 LMNA (0.47) LMNABRD4PTPN7PDE10ACNR2
SCHEMBL5451167 0.81 SMN1; SMN2 (0.46) LMNABRD4L3MBTL1CNR2CNR1
SCHEMBL5454281 0.81 PTPN7 (0.53) LMNAPTPN7GAAL3MBTL1CNR2
SCHEMBL5446675 0.81 PTPN7 (0.51) LMNAPTPN7L3MBTL1CNR2HDAC1
SCHEMBL5318827 0.80 CNR1 (0.43) LMNAL3MBTL1CNR2CNR1
SCHEMBL5443756 0.80 PTPN7 (0.55) LMNAPTPN7L3MBTL1CNR2

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 LMNA 3791/4885BRD4 850/4885PTPN7 592/4885

“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.