SCHEMBL4208199

SCHEMBL4208199

CC1CN(C(=O)OC(C)(C)C)CCc2ccc(C3CC3)nc21

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 1/20 0.45
NR1H2 P55055 1/20 0.44
TRPV3 Q8NET8 3/20 0.44
PRMT5 O14744 4/20 0.40
IGF1R P08069 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
GPR119 Q8TDV5 3/20 0.39
WDR77 Q9BQA1 1/20 0.38
KDM1A O60341 1/20 0.38
USP30 Q70CQ3 1/20 0.38
JAK2 O60674 1/20 0.38
JAK1 P23458 1/20 0.38
PDE4B Q07343 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
SCHEMBL4200211 0.87 ESR2 (0.47) ESR2NR1H2PRMT5IGF1RNPC1
SCHEMBL4208116 0.85 ESR2 (0.50) ESR2NR1H2PRMT5NPC1RAB9A
SCHEMBL2939298 0.84 TRPV3 (0.43) ESR2NR1H2TRPV3PRMT5NPC1
SCHEMBL4203910 0.82 ESR2 (0.45) ESR2NR1H2PRMT5IGF1RNPC1
SCHEMBL4208506 0.81 ESR2 (0.48) ESR2NR1H2TRPV3PRMT5NPC1
SCHEMBL4202663 0.81 ESR2 (0.44) ESR2NR1H2PRMT5NPC1RAB9A
SCHEMBL4195038 0.81 ESR2 (0.42) ESR2NR1H2PRMT5GPR119WDR77
SCHEMBL8059842 0.81 GPR119 (0.46) ESR2NR1H2GPR119USP30
SCHEMBL4012536 0.81 ESR2 (0.42) ESR2NR1H2PRMT5GPR119WDR77
SCHEMBL4206674 0.81 GPR119 (0.46) ESR2NR1H2GPR119USP30

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-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

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 873/4885TRPV3 564/4885

“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.