SCHEMBL508009

SCHEMBL508009

CC(C)C(=O)c1ccc(CBr)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CES2 O00748 1/20 0.52
▸ CES1 P23141 1/20 0.52
▸ KDM4E B2RXH2 1/20 0.47
▸ DBH P09172 1/20 0.47
▸ GAA P10253 1/20 0.47
▸ RECQL P46063 1/20 0.47
▸ KMT2A Q03164 2/20 0.39
▸ ADRA2B P18089 2/20 0.38
▸ KCNH2 Q12809 2/20 0.38
▸ CHRM2 P08172 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ ADRA2C P18825 1/20 0.38
▸ CHRM3 P20309 1/20 0.38
▸ DRD3 P35462 1/20 0.38
▸ OPRD1 P41143 1/20 0.38
▸ SIGMAR1 Q99720 1/20 0.38
▸ HRH3 Q9Y5N1 1/20 0.38
▸ ALDH1A1 P00352 3/20 0.38
▸ CYP4F2 P78329 1/20 0.37
▸ CYP4A11 Q02928 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
SCHEMBL3977627 0.84 KDM4E (0.44) KDM4EDBHGAARECQLKMT2A
SCHEMBL3007585 0.84 CES2 (0.48) CES2CES1KMT2AADRA2BKCNH2
SCHEMBL3685675 0.83 KDM4E (0.50) KDM4EDBHGAARECQLKMT2A
SCHEMBL480603 0.83 KMT2A (0.58) KDM4EDBHGAARECQLKMT2A
Hydrochloric Acid SCHEMBL22614733 0.82 CES2 (0.47) CES2CES1KMT2AADRA2BKCNH2
SCHEMBL10121174 0.82 KDM4E (0.62) CES2CES1KDM4EDBHGAA
SCHEMBL11043243 0.81 CES2 (0.46) CES2CES1KMT2AADRA2BKCNH2
SCHEMBL12158530 0.81 SLC6A2 (0.49) KDM4EDBHGAARECQLKMT2A
SCHEMBL3129690 0.81 ALDH1A1 (0.59) KDM4EDBHGAARECQLADRA2B
SCHEMBL10585369 0.80 KDM4E (0.52) CES2CES1KDM4EDBHGAA

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1720836-B1 6-SUBSTITUTED 2,3,4,5-TETRAHYDRO-1H-BENZO [D]AZEPINES AS 5-HT2C RECEPTOR AGONISTS LILLY CO ELI (US) 2014-04-16 — — EP disclosed
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
US-8394830-B2 Quinolines and their therapeutic use PULMAGEN THERAPEUTICS (ASTHMA) LIMITED (GB) 2013-03-12 — — 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-20120184579-A1 Quinolines and Their Therapeutic Use GB005, INC. 2012-07-19 — — US disclosed
US-8173812-B2 Quinolines and their therapeutic use PULMAGEN THERAPEUTICS (ASTHMA) LIMITED (GB) 2012-05-08 — — US 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
EP-2139881-B1 QUINOLINES AND THEIR THERAPEUTIC USE PULMAGEN THERAPEUTICS ASTHMA LTD (GB) 2011-11-09 — — EP 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-20100144787-A1 Quinolines and Their Therapeutic Use GB005, INC. 2010-06-10 — — US disclosed
EP-2139881-A1 QUINOLINES AND THEIR THERAPEUTIC USE Argenta Oral Therapeutics Limited (GB) 2010-01-06 — — EP disclosed
WO-2009109999-A1 NOVEL PROTEIN TYROSINE PHOSPHATASE - IB INHIBITORS LUPIN LIMITED (IN) 2009-09-11 — — WO 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
WO-2008122784-A1 QUINOLINES AND THEIR THERAPEUTIC USE ARGENTA DISCOVERY LIMITED (GB) 2008-10-16 — — WO disclosed
CN-1934088-A As 5-HT2c6-substituted 2,3,4, 5-tetrahydro-1H-benzo [ d ] receptor agonists]Aza * LILLY CO ELI (US) 2007-03-21 — — CN 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 (4 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 CES2 984/4885CES1 2724/4885KDM4E 1208/4885
US-20100144787-A1 Quinolines and Their Therapeutic Use CHRM3, CHRM2, HRH1 CES2 1412/4885CES1 1306/4885KDM4E 4048/4885
US-20120028961-A1 6 Substituted 2, 3,4,5 Tetrahydro-1H-Benzo[d]Azepines as 5-HT2c Receptor Agonist HTR2C, HTR4, HTR1A CES2 958/4885CES1 2224/4885KDM4E 623/4885
US-20120184579-A1 Quinolines and Their Therapeutic Use HRH1, CHRM2, CHRM3 CES2 1285/4885CES1 1184/4885KDM4E 3972/4885

“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.

Send feedback