SCHEMBL507654

SCHEMBL507654

O=S(=O)(CCCC(F)(F)F)c1ccc(CNc2c(Cl)ccc3c2CCNCC3)cc1

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MLNR O43193 11/20 0.39
PNMT P11086 2/20 0.38
HTR2C P28335 7/20 0.36
HTR2B P41595 5/20 0.36
HTR2A P28223 5/20 0.36
CYP2D6 P10635 3/20 0.36
DRD2 P14416 2/20 0.34
DRD3 P35462 2/20 0.34
HTR6 P50406 2/20 0.34
CNR2 P34972 1/20 0.33

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
SCHEMBL10230539 0.94 MLNR (0.40) MLNRPNMTHTR2CHTR2BHTR2A
Succinic Acid SCHEMBL508580 0.88 MLNR (0.36) MLNRPNMTHTR2CHTR2BHTR2A
SCHEMBL10228081 0.84 MLNR (0.43) MLNRPNMTHTR2CHTR2BHTR2A
Hydrochloric Acid SCHEMBL507458 0.83 MLNR (0.42) MLNRPNMTHTR2CHTR2BHTR2A
SCHEMBL508069 0.83 MLNR (0.43) MLNRHTR2CHTR2BHTR2ACYP2D6
SCHEMBL507653 0.81 HTR2C (0.35) MLNRHTR2CHTR2BHTR2ACYP2D6
SCHEMBL12175440 0.79 HTR2C (0.43) PNMTHTR2CHTR2BHTR2A
SCHEMBL10228084 0.79 HTR2C (0.40) MLNRPNMTHTR2CHTR2BHTR2A
Hydrochloric Acid SCHEMBL506432 0.78 HTR2C (0.39) MLNRPNMTHTR2CHTR2BHTR2A
SCHEMBL11947458 0.77 HTR2C (0.48) MLNRPNMTHTR2CHTR2BHTR2A

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 MLNR 222/4885PNMT 421/4885HTR2C 1/4885

“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.