SCHEMBL5446346

SCHEMBL5446346

COc1cccc2c(C#N)cn(CCCN3CCN(CCOc4ccc(Cl)c5ccccc45)CC3)c12

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.53
NPSR1 Q6W5P4 1/20 0.53
MAPT P10636 4/20 0.50
HTT P42858 3/20 0.50
LMNA P02545 2/20 0.50
MAPK1 P28482 1/20 0.50
HTR1A P08908 2/20 0.41
HTR7 P34969 2/20 0.41
DRD2 P14416 1/20 0.41
HTR2A P28223 1/20 0.41
L3MBTL1 Q9Y468 3/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
ALDH1A1 P00352 1/20 0.40
P2RX7 Q99572 1/20 0.39
FYN P06241 1/20 0.37
SRC P12931 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
TDP1 Q9NUW8 1/20 0.37

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
SCHEMBL5448678 0.86 TSHR (0.55) TSHRNPSR1MAPTHTTLMNA
SCHEMBL5454256 0.85 TSHR (0.50) TSHRNPSR1MAPTHTTLMNA
SCHEMBL14463834 0.83 TSHR (0.51) TSHRNPSR1MAPTHTTLMNA
SCHEMBL5446845 0.81 HTR1A (0.43) TSHRNPSR1MAPTHTR1AHTR2A
SCHEMBL5457344 0.80 MAPT (0.55) NPSR1MAPTL3MBTL1MEN1KMT2A
SCHEMBL5454691 0.80 TSHR (0.48) TSHRNPSR1MAPTHTTLMNA
SCHEMBL5450021 0.80 CNR2 (0.54) MAPTLMNAL3MBTL1MEN1KMT2A
SCHEMBL5440867 0.79 KDM4E (0.50) TSHRNPSR1MAPTHTTLMNA
SCHEMBL5450049 0.78 CNR2 (0.47) MAPTLMNASMN1; SMN2
SCHEMBL5475858 0.77 MAPK1 (0.44) TSHRNPSR1MAPTHTTLMNA

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 TSHR 87/4885NPSR1 33/4885MAPT 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.