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SCHEMBL507013

SCHEMBL507013

CC(C)(C)OC(=O)N1CCc2ccc(Cl)c(SCCCN3C(=O)C(C)(C)c4ccccc43)c2CC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ESR2 Q92731 1/20 0.36
▸ LMNA P02545 2/20 0.35
▸ MAPT P10636 2/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ CYP2D6 P10635 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ NFKB1 P19838 1/20 0.35
▸ THPO P40225 1/20 0.35
▸ HIF1A Q16665 1/20 0.35
▸ HDAC1 Q13547 3/20 0.34
▸ HDAC6 Q9UBN7 3/20 0.34
▸ MEN1 O00255 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ HDAC8 Q9BY41 2/20 0.34
▸ GMNN O75496 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ BLM P54132 1/20 0.34
▸ PMP22 Q01453 1/20 0.34
▸ CRHR1 P34998 1/20 0.34
▸ AVPR1A P37288 2/20 0.34

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
SCHEMBL507740 0.85 HTR7 (0.40) ESR2
SCHEMBL507235 0.85 ALDH1A1 (0.42) ESR2LMNAMAPTCYP3A4CYP2D6
SCHEMBL10229255 0.80 ESR2 (0.40) ESR2LMNAMAPTKMT2ANR1H2
SCHEMBL10230425 0.80 LMNA (0.36) LMNAMAPTCYP3A4CYP2D6CYP2C9
SCHEMBL507911 0.79 ESR2 (0.44) ESR2MAPTMEN1KMT2ANR1H2
SCHEMBL508112 0.79 ESR2 (0.44) ESR2MAPTMEN1KMT2AMAPK1
SCHEMBL508050 0.78 ESR2 (0.43) ESR2MAPTMEN1KMT2ANR1H2
Succinic Acid SCHEMBL507860 0.78 LMNA (0.36) LMNAMAPTCYP3A4CYP2D6CYP2C9
SCHEMBL507019 0.78 ESR2 (0.46) ESR2MAPTMEN1KMT2ANR1H2
SCHEMBL507885 0.78 CCR5 (0.43) LMNAMAPTMAPK1

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 ESR2 210/4885LMNA 4504/4885MAPT 4341/4885
US-20120028961-A1 6 Substituted 2, 3,4,5 Tetrahydro-1H-Benzo[d]Azepines as 5-HT2c Receptor Agonist HTR2C, HTR4, HTR1A ESR2 319/4885LMNA 4672/4885MAPT 4526/4885

“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.