SCHEMBL4207648

SCHEMBL4207648

Cc1ccc2c(n1)CCN(C(=O)OC(C)(C)C)CC2

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 1/20 0.52
NR1H2 P55055 1/20 0.51
GRM5 P41594 1/20 0.51
MAPT P10636 2/20 0.48
GPR119 Q8TDV5 10/20 0.45
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
USP2 O75604 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL10313013 0.91 ESR2 (0.57) ESR2NR1H2GRM5MAPTGPR119
SCHEMBL25085668 0.91 ESR2 (0.57) ESR2NR1H2GRM5MAPTGPR119
SCHEMBL30207713 0.86 ESR2 (0.55) ESR2NR1H2GRM5MAPTGPR119
SCHEMBL8055171 0.86 ESR2 (0.55) ESR2NR1H2GRM5MAPTGPR119
SCHEMBL30207688 0.85 NR1H2 (0.56) ESR2NR1H2GRM5MAPTGPR119
SCHEMBL2080340 0.85 NR1H2 (0.56) ESR2NR1H2GRM5MAPTGPR119
SCHEMBL13568080 0.85 ESR2 (0.51) ESR2NR1H2GRM5MAPTGPR119
SCHEMBL8056922 0.84 GRM5 (0.51) ESR2NR1H2GRM5MAPTGPR119
SCHEMBL13568077 0.83 ESR2 (0.49) ESR2NR1H2GRM5MAPTGPR119
SCHEMBL4198464 0.83 NR1H2 (0.51) ESR2NR1H2GRM5MAPTGPR119

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 5 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
US-20090312306-A1 TETRAHYDRO-5H-PYRIDO[2,3-D]AZEPINES AS 5-HT2C LIGANDS CASCADE THERAPEUTICS INC. (CA) 2009-12-17 US disclosed
US-20090312306-A1 TETRAHYDRO-5H-PYRIDO[2,3-D]AZEPINES AS 5-HT2C LIGANDS CASCADE THERAPEUTICS INC. (CA) 2009-12-17 US disclosed
WO-2008009125-A9 TETRAHYDRO-5H-PYRIDO[2,3-D]AZEPINES AS 5-HT2C LIGANDS NPS ALLELIX CORP (CA) 2008-07-24 WO disclosed
WO-2008009125-A1 TETRAHYDRO-5H-PYRIDO[2,3-D]AZEPINES AS 5-HT2C LIGANDS CASCADE THERAPEUTICS INC. (CA) 2008-01-24 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 ESR2 550/4885NR1H2 873/4885GRM5 25/4885

“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.