SCHEMBL5451308

SCHEMBL5451308

COc1cccc2c(C#N)cn(CCCN3CCC(Oc4cccc(Cl)c4)CC3)c12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR3 P51677 3/20 0.45
HRH1 P35367 2/20 0.45
TSHR P16473 2/20 0.42
NPSR1 Q6W5P4 1/20 0.42
MAPT P10636 2/20 0.41
HTT P42858 2/20 0.41
LMNA P02545 1/20 0.41
MAPK1 P28482 1/20 0.41
HRH3 Q9Y5N1 5/20 0.40
FYN P06241 1/20 0.38
SRC P12931 1/20 0.38
KCNH2 Q12809 1/20 0.38
SIGMAR1 Q99720 1/20 0.37
CNR2 P34972 1/20 0.36
FPR2 P25090 1/20 0.36
PROKR1 Q8TCW9 1/20 0.36
RET P07949 1/20 0.36
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
KDM4E B2RXH2 1/20 0.36

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
SCHEMBL5450027 0.82 ALDH1A1 (0.47) CCR3NPSR1MAPTHRH3CNR2
SCHEMBL5452267 0.82 TSHR (0.40) TSHRNPSR1MAPTHTTLMNA
SCHEMBL5450875 0.81 CNR2 (0.47) CCR3HRH1MAPTHRH3KCNH2
SCHEMBL14410919 0.80 CCR3 (0.43) CCR3HRH1HRH3KCNH2ALDH1A1
SCHEMBL5444360 0.80 TSHR (0.44) TSHRNPSR1MAPTHTTLMNA
SCHEMBL5440867 0.80 KDM4E (0.50) TSHRNPSR1MAPTHTTLMNA
SCHEMBL5449049 0.80 CNR2 (0.53) CCR3HRH3CNR2MEN1KMT2A
SCHEMBL5454256 0.79 TSHR (0.50) TSHRNPSR1MAPTHTTLMNA
SCHEMBL5440891 0.79 PDE10A (0.51) CCR3CNR2MEN1ALDH1A1KMT2A
SCHEMBL5454512 0.78 CNR2 (0.46) CCR3HRH1MAPTKCNH2CNR2

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 CCR3 1400/4885HRH1 502/4885TSHR 87/4885

“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.