SCHEMBL508001

SCHEMBL508001

COC(=O)c1ccc(CSc2c(Cl)ccc3c2CCN(C(=O)OC(C)(C)C)CC3Cl)nc1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.36
TP53 P04637 1/20 0.36
THRB P10828 1/20 0.36
HDAC1 Q13547 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
GPR119 Q8TDV5 2/20 0.34
PKM P14618 1/20 0.34
USP30 Q70CQ3 2/20 0.33
UCHL1 P09936 1/20 0.33
FNTA P49354 2/20 0.33
FNTB P49356 2/20 0.33
MDM2 Q00987 1/20 0.33
ALDH1A1 P00352 1/20 0.33
KMT2A Q03164 1/20 0.33
RORC P51449 1/20 0.32
BCHE P06276 1/20 0.32
HTR6 P50406 1/20 0.32
STS P08842 1/20 0.32
GABRA5 P31644 1/20 0.32

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 0.86 ESR2 (0.38) MAPTTP53THRBHDAC1HDAC6
SCHEMBL508000 0.82 UCHL1 (0.35) MAPTTP53THRBHDAC1HDAC6
SCHEMBL507266 0.78 ESR2 (0.39) MAPTTHRBGPR119KMT2ARORC
SCHEMBL506827 0.75 ESR2 (0.39) MAPTTP53FNTAFNTBKMT2A
SCHEMBL507640 0.73 ESR2 (0.39) MAPT
SCHEMBL507325 0.72 KDM1A (0.39) MAPTGPR119
SCHEMBL2370111 0.72 HDAC1 (0.38) THRBHDAC1HDAC6GPR119USP30
SCHEMBL507120 0.71 DDB1 (0.41) MAPTTP53THRBGPR119KMT2A
SCHEMBL508246 0.71 KDM1A (0.37) MAPTGPR119
SCHEMBL10274752 0.71 TP53 (0.40) MAPTTP53ALDH1A1KMT2A

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 MAPT 4341/4885TP53 4836/4885THRB 385/4885
US-20120028961-A1 6 Substituted 2, 3,4,5 Tetrahydro-1H-Benzo[d]Azepines as 5-HT2c Receptor Agonist HTR2C, HTR4, HTR1A MAPT 4526/4885TP53 4830/4885THRB 337/4885

“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.