SCHEMBL507885

SCHEMBL507885

CC(C)(C)OC(=O)N1CCc2ccc(Cl)c(SCCCn3c(=O)[nH]c4ccccc43)c2CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 2/20 0.43
MAPT P10636 3/20 0.42
MAPK1 P28482 3/20 0.42
HTT P42858 3/20 0.42
LMNA P02545 3/20 0.42
TSHR P16473 2/20 0.42
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
RECQL P46063 1/20 0.40
ALOX15 P16050 1/20 0.38
HTR7 P34969 5/20 0.38
P2RX7 Q99572 3/20 0.38
HTR1A P08908 2/20 0.38
TP53 P04637 1/20 0.37
PKM P14618 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
PARP1 P09874 1/20 0.37
PARP2 Q9UGN5 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
SCHEMBL507235 0.82 ALDH1A1 (0.42) MAPTLMNATSHRALDH1A1HPGD
SCHEMBL10278026 0.79 MAPK1 (0.52) MAPTMAPK1HTTLMNATSHR
SCHEMBL507911 0.79 ESR2 (0.44) MAPT
SCHEMBL508112 0.79 ESR2 (0.44) MAPTMAPK1
SCHEMBL507740 0.79 HTR7 (0.40) HTR7HTR1A
SCHEMBL10229265 0.79 ESR2 (0.48) MAPT
SCHEMBL508050 0.78 ESR2 (0.43) MAPT
SCHEMBL10229255 0.78 ESR2 (0.40) MAPTLMNATSHRALDH1A1HPGD
SCHEMBL507019 0.78 ESR2 (0.46) MAPT
SCHEMBL507013 0.78 ESR2 (0.36) MAPTMAPK1LMNA

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 CCR5 569/4885MAPT 4341/4885MAPK1 3503/4885
US-20120028961-A1 6 Substituted 2, 3,4,5 Tetrahydro-1H-Benzo[d]Azepines as 5-HT2c Receptor Agonist HTR2C, HTR4, HTR1A CCR5 475/4885MAPT 4526/4885MAPK1 3410/4885

“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.