SCHEMBL5433907

SCHEMBL5433907

CCOC(=O)C1CCN(CCCn2cc(C(C)=O)c3cccc(OC)c32)CC1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.53
CNR2 P34972 5/20 0.48
ALDH1A1 P00352 5/20 0.48
KMT2A Q03164 4/20 0.48
KDM4E B2RXH2 3/20 0.48
TSHR P16473 1/20 0.48
MAPT P10636 2/20 0.46
CNR1 P21554 3/20 0.45
POLB P06746 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.44
TNF P01375 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL14410968 0.85 KCNH2 (0.50) CNR2ALDH1A1KMT2AKDM4EMAPT
SCHEMBL14410946 0.84 CNR2 (0.54) CNR2KMT2ACNR1SMN1; SMN2
SCHEMBL5341467 0.83 CNR2 (0.50) CNR2KMT2ACNR1SMN1; SMN2
SCHEMBL14410967 0.83 DRD2 (0.52) CNR2KMT2ACNR1SMN1; SMN2
SCHEMBL14410851 0.82 CNR2 (0.46) CNR2ALDH1A1KMT2AMAPTCNR1
SCHEMBL5448723 0.81 MEN1 (0.59) CNR2ALDH1A1KMT2AKDM4E
SCHEMBL14464412 0.81 CNR2 (0.46) CNR2ALDH1A1KMT2AKDM4ECNR1
SCHEMBL5443803 0.81 CNR2 (0.54) CNR2CNR1
SCHEMBL5340671 0.81 CNR2 (0.51) CNR2KMT2ACNR1SMN1; SMN2
SCHEMBL5453743 0.80 CNR2 (0.50) CNR2CNR1

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 THRB 129/4885CNR2 106/4885ALDH1A1 2963/4885

“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.