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SCHEMBL508000

SCHEMBL508000

COC(=O)c1ccc(CSc2c(Cl)ccc3c2CCN(C(=O)OC(C)(C)C)C(Cl)C3)nc1

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ UCHL1 P09936 5/20 0.35
▸ USP30 Q70CQ3 1/20 0.35
▸ HDAC1 Q13547 2/20 0.35
▸ HDAC6 Q9UBN7 1/20 0.35
▸ MDM2 Q00987 1/20 0.33
▸ GPR119 Q8TDV5 1/20 0.33
▸ TSHR P16473 4/20 0.33
▸ LMNA P02545 4/20 0.33
▸ ALDH1A1 P00352 3/20 0.33
▸ MAPT P10636 2/20 0.32
▸ TP53 P04637 2/20 0.32
▸ THRB P10828 1/20 0.32
▸ KMT2A Q03164 2/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32
▸ OPRK1 P41145 1/20 0.31
▸ ACACB O00763 1/20 0.31

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
SCHEMBL10228733 0.87 ESR2 (0.38) HDAC1HDAC6GPR119MAPTTP53
SCHEMBL2370111 0.82 HDAC1 (0.38) UCHL1USP30HDAC1HDAC6GPR119
SCHEMBL508001 0.82 MAPT (0.36) UCHL1USP30HDAC1HDAC6MDM2
SCHEMBL507266 0.78 ESR2 (0.39) GPR119MAPTTHRBKMT2AMEN1
SCHEMBL10274752 0.77 TP53 (0.40) LMNAALDH1A1MAPTTP53KMT2A
SCHEMBL507640 0.74 ESR2 (0.39) MAPTACACB
SCHEMBL506827 0.74 ESR2 (0.39) LMNAMAPTTP53KMT2AMEN1
SCHEMBL507325 0.73 KDM1A (0.39) GPR119MAPTACACB
SCHEMBL507120 0.72 DDB1 (0.41) GPR119LMNAMAPTTP53THRB
SCHEMBL506628 0.72 GPR119 (0.39) GPR119TSHRLMNAALDH1A1MAPT

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-8580780-B2 6 substituted 2, 3,4,5 tetrahydro-1H-benzo[d]azepines as 5-HT2C receptor agonist ELI LILLY AND COMPANY (US) 2013-11-12 — — US disclosed
EP-2479168-A1 6-Substituted 2,3,4,5-Tetrahydro-1H-Benzo [d]Azepines as 5-HT2C Receptor Agonists ELI LILLY AND COMPANY (US) 2012-07-25 — — EP disclosed
US-20120028961-A1 6 Substituted 2, 3,4,5 Tetrahydro-1H-Benzo[d]Azepines as 5-HT2c Receptor Agonist ELI LILLY AND COMPANY (US) 2012-02-02 — — US disclosed
US-8022062-B2 6-substituted 2,3,4,5-tetrahydro-1H-benzo[d]azepines as 5-HT2C receptor agonists ELI LILLY AND COMPANY (US) 2011-09-20 — — US disclosed
US-20090099155-A1 6-SUBSTITUTED 2,3,4,5-TETRAHYDRO-1H-BENZO[D]AZEPINES AS 5-HT2C RECEPTOR AGONISTS ARRAY BIOPHARMA, INC. 2009-04-16 — — 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 (2 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-20090099155-A1 6-SUBSTITUTED 2,3,4,5-TETRAHYDRO-1H-BENZO[D]AZEPINES AS 5-HT2C RECEPTOR AGONISTS HTR2C, HTR5A, HTR4 UCHL1 4166/4885USP30 3051/4885HDAC1 1188/4885
US-20120028961-A1 6 Substituted 2, 3,4,5 Tetrahydro-1H-Benzo[d]Azepines as 5-HT2c Receptor Agonist HTR2C, HTR4, HTR1A UCHL1 3889/4885USP30 3833/4885HDAC1 2361/4885

“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.