SCHEMBL5448772

SCHEMBL5448772

CCc1cccc2c(C(=O)NCc3ccccc3)cn(CCCN3CCCN(CCc4ccccc4)CC3)c12

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.47
CNR2 P34972 4/20 0.43
BRD4 O60885 1/20 0.43
HTR2A P28223 3/20 0.42
HTR2C P28335 3/20 0.42
HTR2B P41595 3/20 0.42
CNR1 P21554 1/20 0.42
PDE10A Q9Y233 1/20 0.41
PTPN7 P35236 1/20 0.41
OPRM1 P35372 2/20 0.40
DRD4 P21917 1/20 0.40
ALDH1A1 P00352 1/20 0.40
SMYD2 Q9NRG4 1/20 0.40
KDM4E B2RXH2 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
SCHEMBL14412038 0.97 LMNA (0.49) LMNACNR2BRD4HTR2AHTR2C
SCHEMBL5446718 0.91 CNR1 (0.47) LMNACNR2CNR1SMYD2
SCHEMBL5454281 0.90 PTPN7 (0.53) LMNACNR2PTPN7ALDH1A1KDM4E
SCHEMBL5443756 0.89 PTPN7 (0.55) LMNACNR2PTPN7ALDH1A1KDM4E
SCHEMBL5448792 0.89 OPRM1 (0.44) OPRM1ALDH1A1
SCHEMBL5454687 0.88 CNR1 (0.49) LMNACNR2CNR1ALDH1A1SMYD2
SCHEMBL5452665 0.88 PRKAA2 (0.44) LMNACNR2PDE10AALDH1A1
SCHEMBL5457236 0.86 PTPN7 (0.56) LMNACNR2BRD4PDE10APTPN7
SCHEMBL5452038 0.86 PTPN7 (0.57) LMNACNR2BRD4PDE10APTPN7
SCHEMBL5448974 0.85 PTPN7 (0.49) LMNACNR2PTPN7KDM4E

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 3791/4885CNR2 106/4885BRD4 850/4885

“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.