SCHEMBL5460928

SCHEMBL5460928

COc1ccc2c(c1)c(C(C)=O)cn2CCCN1CCC(C(=O)c2ccccc2)CC1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 3/20 0.51
KCNH2 Q12809 2/20 0.49
HRH2 P25021 2/20 0.47
HTR2A P28223 3/20 0.47
HTR2C P28335 2/20 0.47
HTR2B P41595 2/20 0.47
PKM P14618 1/20 0.46
ALDH1A1 P00352 3/20 0.46
LMNA P02545 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.45
MAPT P10636 2/20 0.45
CNR1 P21554 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL5451200 0.94 CNR2 (0.51) CNR2KCNH2HRH2HTR2AHTR2C
SCHEMBL5444213 0.89 KCNH2 (0.52) CNR2KCNH2HRH2HTR2AHTR2C
SCHEMBL5451923 0.87 KCNH2 (0.51) CNR2KCNH2HRH2HTR2AALDH1A1
SCHEMBL14411329 0.86 KCNH2 (0.57) CNR2KCNH2HTR2AALDH1A1SMN1; SMN2
SCHEMBL5448736 0.85 KCNH2 (0.60) CNR2KCNH2HTR2AALDH1A1SMN1; SMN2
SCHEMBL5460381 0.83 HRH2 (0.57) CNR2KCNH2HRH2HTR2AHTR2C
SCHEMBL5462877 0.82 HRH2 (0.47) CNR2HRH2HTR2AHTR2CHTR2B
SCHEMBL5456499 0.81 CNR2 (0.50) CNR2HRH2HTR2AHTR2CHTR2B
SCHEMBL5427206 0.81 KCNH2 (0.51) CNR2KCNH2HTR2AALDH1A1SMN1; SMN2
SCHEMBL14410968 0.81 KCNH2 (0.50) CNR2KCNH2HTR2AALDH1A1SMN1; SMN2

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 CNR2 106/4885KCNH2 4294/4885HRH2 418/4885

“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.