SCHEMBL4008920

SCHEMBL4008920

COc1ccc2c(n1)CCN(C(=O)O)CC2

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 1/20 0.53
POLB P06746 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
DRD3 P35462 4/20 0.39
DRD2 P14416 2/20 0.39
KMT2A Q03164 2/20 0.36
ESR1 P03372 1/20 0.36
ESR2 Q92731 1/20 0.36
MEN1 O00255 1/20 0.36
GABRG2 P18507 3/20 0.36
GABRB3 P28472 3/20 0.36
GABRA5 P31644 3/20 0.36
KCNH2 Q12809 1/20 0.36
HTR2C P28335 1/20 0.36
MTNR1A P48039 1/20 0.36
MTNR1B P49286 1/20 0.36
NNMT P40261 1/20 0.36
PDGFRB P09619 1/20 0.35
KDR P35968 1/20 0.35
RORC P51449 1/20 0.35

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
SCHEMBL19126914 0.83 GRM5 (0.49) GRM5DRD3DRD2ESR1ESR2
SCHEMBL19148246 0.83 ESR1 (0.53) GRM5DRD3DRD2ESR1ESR2
SCHEMBL8056922 0.82 GRM5 (0.51) GRM5POLBKMT2AESR2MEN1
SCHEMBL4203783 0.79 GRM5 (0.37) GRM5DRD3DRD2ESR1ESR2
SCHEMBL4011215 0.78 GRM5 (0.36) GRM5KMT2AESR1ESR2MEN1
SCHEMBL15025246 0.78 DRD3 (0.45) GRM5DRD3DRD2HTR2CNNMT
SCHEMBL28935833 0.77 GRM5 (0.37) GRM5DRD3DRD2KMT2AMEN1
SCHEMBL4208644 0.77 NOTUM (0.36) GRM5KMT2AESR2MEN1GABRG2
SCHEMBL4202771 0.77 HCAR3 (0.37) GRM5PDGFRBNPC1
SCHEMBL21326148 0.76 ESR2 (0.55) GRM5ESR2KDM4E

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090312306-A1 TETRAHYDRO-5H-PYRIDO[2,3-D]AZEPINES AS 5-HT2C LIGANDS CASCADE THERAPEUTICS INC. (CA) 2009-12-17 US disclosed
WO-2009079765-A1 COMPOUNDS WITH ACTIVITY AT THE 5-HT2C RECEPTOR CASCADE THERAPEUTICS INC. (CA) 2009-07-02 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-20090312306-A1 TETRAHYDRO-5H-PYRIDO[2,3-D]AZEPINES AS 5-HT2C LIGANDS HTR2C, HTR2A, HTR5A GRM5 25/4885POLB 4463/4885TDP1 2573/4885

“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.