SCHEMBL5443136

SCHEMBL5443136

COc1cccc2c(C(=O)c3ccccc3)cn(CCCN3CCC(c4nc5ccccc5s4)CC3)c12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
UBE2M P61081 5/20 0.48
DCUN1D1 Q96GG9 5/20 0.48
MAPT P10636 2/20 0.47
CNR2 P34972 1/20 0.47
TP53 P04637 2/20 0.46
LMNA P02545 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
ALDH1A1 P00352 2/20 0.44
GAA P10253 2/20 0.44
GFER P55789 1/20 0.44
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
RECQL P46063 1/20 0.42
HTR1A P08908 1/20 0.42
DRD2 P14416 1/20 0.42
HTR2A P28223 1/20 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
SCHEMBL14410852 0.91 MAPT (0.49) UBE2MDCUN1D1MAPTCNR2TP53
SCHEMBL5454189 0.90 MAPT (0.50) UBE2MDCUN1D1MAPTCNR2TP53
SCHEMBL5448709 0.86 MAPT (0.48) UBE2MDCUN1D1MAPTCNR2TP53
SCHEMBL14411854 0.84 MAPT (0.42) UBE2MDCUN1D1MAPTCNR2TP53
SCHEMBL5446468 0.84 LMNA (0.48) UBE2MDCUN1D1MAPTCNR2TP53
SCHEMBL5450940 0.84 CNR2 (0.52) CNR2KMT2AMEN1DRD2
SCHEMBL5452486 0.83 LMNA (0.47) UBE2MDCUN1D1MAPTCNR2TP53
SCHEMBL5463133 0.81 CNR2 (0.52) MAPTCNR2ALDH1A1CYP1A2CYP3A4
SCHEMBL14411853 0.81 LMNA (0.47) UBE2MDCUN1D1MAPTTP53LMNA
SCHEMBL14463728 0.81 CNR2 (0.51) CNR2KMT2AMEN1DRD2HTR2A

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 3 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

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 UBE2M 4225/4885DCUN1D1 3339/4885MAPT 4523/4885

“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.