SCHEMBL508313

SCHEMBL508313

CC(c1ccc(CNc2c(Cl)ccc3c2CCNCC3)cc1)S(=O)(=O)C(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2B P41595 10/20 0.37
HTR2C P28335 9/20 0.37
HTR2A P28223 8/20 0.37
MLNR O43193 3/20 0.33
PNMT P11086 2/20 0.32
ADRA2A P08913 1/20 0.32
ADRA2B P18089 1/20 0.32
ADRA2C P18825 1/20 0.32
HTR6 P50406 2/20 0.31
DRD2 P14416 1/20 0.31
DRD3 P35462 1/20 0.31
KDM4E B2RXH2 2/20 0.30
GAA P10253 2/20 0.30
MAPT P10636 2/20 0.30
ALOX15 P16050 2/20 0.30
ALOX12 P18054 2/20 0.30
MAPK1 P28482 2/20 0.30
SMN1; SMN2 Q16637 2/20 0.30
TDP1 Q9NUW8 2/20 0.30
L3MBTL1 Q9Y468 2/20 0.30

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
SCHEMBL509783 0.83 HTR2C (0.40) HTR2BHTR2CHTR2AMLNRPNMT
SCHEMBL10230159 0.82 HTR2B (0.39) HTR2BHTR2CHTR2APNMTADRA2A
SCHEMBL508316 0.82 HTR2B (0.37) HTR2BHTR2CHTR2AMLNRPNMT
SCHEMBL508314 0.82 HTR2C (0.39) HTR2BHTR2CHTR2AMLNRPNMT
SCHEMBL508069 0.82 MLNR (0.43) HTR2BHTR2CHTR2AMLNRHTR6
SCHEMBL2585393 0.82 HTR2B (0.39) HTR2BHTR2CHTR2AMLNRPNMT
SCHEMBL10228084 0.81 HTR2C (0.40) HTR2BHTR2CHTR2AMLNRPNMT
SCHEMBL16456573 0.81 HTR2A (0.38) HTR2BHTR2CHTR2APNMTADRA2A
Hydrochloric Acid SCHEMBL506432 0.81 HTR2C (0.39) HTR2BHTR2CHTR2AMLNRPNMT
SCHEMBL2588552 0.80 HTR2B (0.41) HTR2BHTR2CHTR2AMLNRPNMT

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
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
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

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-20120028961-A1 6 Substituted 2, 3,4,5 Tetrahydro-1H-Benzo[d]Azepines as 5-HT2c Receptor Agonist HTR2C, HTR4, HTR1A HTR2B 12/4885HTR2C 1/4885HTR2A 4/4885

“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.