SCHEMBL5451270

SCHEMBL5451270

COc1cccc2c1c(C(C)=O)cn2CCCN1CCC(C(=O)c2ccccc2)CC1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.50
ALDH1A1 P00352 1/20 0.49
MAPT P10636 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
KMT2A Q03164 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
HTR2A P28223 3/20 0.45
CYP2D6 P10635 2/20 0.44
KDM4E B2RXH2 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CNR1 P21554 1/20 0.43
CNR2 P34972 1/20 0.43
CYP2C19 P33261 1/20 0.42
GRM2 Q14416 1/20 0.42
ADRA1D P25100 1/20 0.42
LMNA P02545 1/20 0.42
HSD11B1 P28845 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
SCHEMBL14410968 0.85 KCNH2 (0.50) KCNH2ALDH1A1MAPTNPSR1KMT2A
SCHEMBL5454214 0.85 DRD2 (0.52) KCNH2ALDH1A1MAPTNPSR1KMT2A
SCHEMBL5441786 0.84 KMT2A (0.45) ALDH1A1MAPTNPSR1KMT2ASMN1; SMN2
SCHEMBL14411329 0.83 KCNH2 (0.57) KCNH2ALDH1A1MAPTNPSR1KMT2A
SCHEMBL5457453 0.82 HTR4 (0.46) ALDH1A1MAPTNPSR1KMT2ASMN1; SMN2
SCHEMBL5453862 0.81 KMT2A (0.46) ALDH1A1MAPTNPSR1KMT2ASMN1; SMN2
SCHEMBL5448736 0.81 KCNH2 (0.60) KCNH2ALDH1A1MAPTNPSR1KMT2A
SCHEMBL5451200 0.81 CNR2 (0.51) KCNH2ALDH1A1MAPTNPSR1KMT2A
SCHEMBL5460928 0.81 CNR2 (0.51) KCNH2ALDH1A1MAPTNPSR1KMT2A
SCHEMBL5447876 0.80 ALDH1A1 (0.55) KCNH2ALDH1A1MAPTNPSR1KMT2A

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 KCNH2 4294/4885ALDH1A1 2963/4885MAPT 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.