SCHEMBL937025

SCHEMBL937025

CC(O)CN(CCc1ccc(Cl)cc1)CCc1ccc(Cl)cc1

nearest known ligand 0.69

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP51A1 Q16850 1/20 0.55
AOC3 Q16853 1/20 0.50
TSHR P16473 1/20 0.49
RECQL P46063 1/20 0.49
KCNH2 Q12809 6/20 0.42
CHIT1 Q13231 2/20 0.42
CHIA Q9BZP6 2/20 0.42
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
SLC6A4 P31645 1/20 0.41
TAAR1 Q96RJ0 2/20 0.40
SLC6A2 P23975 1/20 0.40
SLC6A3 Q01959 1/20 0.40
CNR2 P34972 1/20 0.40
SIGMAR1 Q99720 1/20 0.40
GAA P10253 1/20 0.40

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
SCHEMBL15996541 0.94 CYP51A1 (0.50) CYP51A1AOC3TSHRRECQLKCNH2
SCHEMBL10585881 0.75 TAAR1 (0.47) AOC3KCNH2TAAR1SLC6A2SLC6A3
SCHEMBL2032753 0.75 ALDH1A1 (0.46) ALDH1A1MAPT
SCHEMBL4161150 0.70 SLC6A2 (0.61) KCNH2ALDH1A1LMNAMAPTSLC6A4
SCHEMBL4158699 0.70 SLC6A2 (0.61) KCNH2ALDH1A1LMNAMAPTSLC6A4
SCHEMBL2424315 0.70 SLC6A2 (0.61) KCNH2ALDH1A1LMNAMAPTSLC6A4
SCHEMBL3062170 0.70 AOC3 (0.69) AOC3ALDH1A1MAPTTAAR1CNR2
SCHEMBL436099 0.70 AOC3 (0.52) AOC3KCNH2ALDH1A1LMNAMAPT
SCHEMBL22461658 0.69 AOC3 (0.43) AOC3TSHRRECQLKCNH2ALDH1A1
SCHEMBL22421588 0.69 AOC3 (0.43) AOC3TSHRRECQLKCNH2ALDH1A1

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
US-8822727-B2 Processes for the preparation of intermediates related to the 5-HT2C agonist (R)-8-chloro-1-methyl-2,3,4,5-tetrahydro-1H-3-benzazepine ARENA PHARMACEUTICALS, INC. (US) 2014-09-02 US claimed
JP-2011513402-A 2011-04-28 JP claimed
EP-2288585-A1 PROCESSES FOR THE PREPARATION OF INTERMEDIATES RELATED TO THE 5-HT2C AGONIST (R)-8-CHLORO-1-METHYL-2,3,4,5-TETRAHYDRO-1H-3-BENZAZEPINE Arena Pharmaceuticals, Inc. (US) 2011-03-02 EP claimed
US-20110015438-A1 PROCESS FOR THE PREPARATION OF INTERMEDIATES RELATED TOTHE 5-HT2C AGONIST (R)-8-CHLORO-1-METHYL-2,3,4,5,-TETRAHYDRO-1H-3-BENZAZEPINE ARENA PHARMACEUTICALS, INC. 2011-01-20 US claimed
WO-2009111004-A1 PROCESSES FOR THE PREPARATION OF INTERMEDIATES RELATED TO THE 5-HT2C AGONIST (R)-8-CHLORO-1-METHYL-2,3,4,5-TETRAHYDRO-1H-3-BENZAZEPINE ARENA PHARMACEUTICALS, INC. (US) 2009-09-11 WO claimed
WO-2014202765-A1 PREPARATION OF CHIRAL 1-METHYL-2,3,4,5-1H-BENZODIAZEPINES VIA ASYMMETRIC REDUCTION OF ALPHA-SUBSTITUTED STYRENES LEK PHARMACEUTICALS D.D. (SI) 2014-12-24 WO disclosed
WO-2014173928-A1 NOVEL SYNTHETIC PROCESS TO 8-CHLORO-1-METHYL-BENZO[D]AZEPINE, NOVEL INTERMEDIATES AND THE PRODUCTION THEREOF LEK PHARMACEUTICALS D.D. (SI) 2014-10-30 WO disclosed
US-8822727-B2 Processes for the preparation of intermediates related to the 5-HT2C agonist (R)-8-chloro-1-methyl-2,3,4,5-tetrahydro-1H-3-benzazepine ARENA PHARMACEUTICALS, INC. (US) 2014-09-02 US disclosed
US-8822727-B2 Processes for the preparation of intermediates related to the 5-HT2C agonist (R)-8-chloro-1-methyl-2,3,4,5-tetrahydro-1H-3-benzazepine ARENA PHARMACEUTICALS, INC. (US) 2014-09-02 US disclosed
EP-2288585-A1 PROCESSES FOR THE PREPARATION OF INTERMEDIATES RELATED TO THE 5-HT2C AGONIST (R)-8-CHLORO-1-METHYL-2,3,4,5-TETRAHYDRO-1H-3-BENZAZEPINE Arena Pharmaceuticals, Inc. (US) 2011-03-02 EP disclosed
US-20110015438-A1 PROCESS FOR THE PREPARATION OF INTERMEDIATES RELATED TOTHE 5-HT2C AGONIST (R)-8-CHLORO-1-METHYL-2,3,4,5,-TETRAHYDRO-1H-3-BENZAZEPINE ARENA PHARMACEUTICALS, INC. 2011-01-20 US disclosed
US-20110015438-A1 PROCESS FOR THE PREPARATION OF INTERMEDIATES RELATED TOTHE 5-HT2C AGONIST (R)-8-CHLORO-1-METHYL-2,3,4,5,-TETRAHYDRO-1H-3-BENZAZEPINE ARENA PHARMACEUTICALS, INC. 2011-01-20 US disclosed
US-20110015438-A1 PROCESS FOR THE PREPARATION OF INTERMEDIATES RELATED TOTHE 5-HT2C AGONIST (R)-8-CHLORO-1-METHYL-2,3,4,5,-TETRAHYDRO-1H-3-BENZAZEPINE ARENA PHARMACEUTICALS, INC. 2011-01-20 US disclosed
WO-2009111004-A1 PROCESSES FOR THE PREPARATION OF INTERMEDIATES RELATED TO THE 5-HT2C AGONIST (R)-8-CHLORO-1-METHYL-2,3,4,5-TETRAHYDRO-1H-3-BENZAZEPINE ARENA PHARMACEUTICALS, INC. (US) 2009-09-11 WO disclosed
WO-2009111004-A1 PROCESSES FOR THE PREPARATION OF INTERMEDIATES RELATED TO THE 5-HT2C AGONIST (R)-8-CHLORO-1-METHYL-2,3,4,5-TETRAHYDRO-1H-3-BENZAZEPINE ARENA PHARMACEUTICALS, INC. (US) 2009-09-11 WO 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-20110015438-A1 PROCESS FOR THE PREPARATION OF INTERMEDIATES RELATED TOTHE 5-HT2C AGONIST (R)-8-CHLORO-1-METHYL-2,3,4,5,-TETRAHYDRO-1H-3-BENZAZEPINE HTR2C, HTR3C, HTR3A CYP51A1 603/4885AOC3 2642/4885TSHR 310/4885

“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.