SCHEMBL506998

SCHEMBL506998

O=C1c2ccccc2C(=O)N1CCCSc1c(Cl)ccc2c1CCNCC2OC(=O)C(F)(F)F

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C19 P33261 1/20 0.36
LPAR2 Q9HBW0 1/20 0.33
LPAR3 Q9UBY5 1/20 0.33
KMT2A Q03164 3/20 0.32
TDP1 Q9NUW8 1/20 0.32
ALDH1A1 P00352 4/20 0.32
TSHR P16473 2/20 0.32
POLB P06746 1/20 0.32
PKM P14618 1/20 0.32
HPGD P15428 2/20 0.31
HSD17B10 Q99714 2/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
RXFP1 Q9HBX9 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
GAA P10253 1/20 0.31
MAPK1 P28482 1/20 0.31
LMNA P02545 1/20 0.31
PDE10A Q9Y233 1/20 0.31

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
SCHEMBL508344 0.87
SCHEMBL507753 0.81 SLC6A2 (0.34) KMT2AALDH1A1POLBSMN1; SMN2L3MBTL1
Trifluoroacetic Acid SCHEMBL506997 0.79 CYP1A2 (0.42) CYP1A2CYP2D6CYP2C19LPAR2LPAR3
SCHEMBL507853 0.77 TBXA2R (0.36) CYP1A2KMT2ATDP1ALDH1A1TSHR
SCHEMBL2369820 0.77 MRGPRX4 (0.34)
SCHEMBL10476322 0.77 LMNA (0.31) CYP1A2CYP2C19HPGDLMNA
SCHEMBL2369383 0.77 GFER (0.34)
SCHEMBL507301 0.76 PTPRG (0.34) CYP1A2CYP2D6KMT2AL3MBTL1GAA
SCHEMBL507112 0.76 MAPT (0.33) POLBSMN1; SMN2
SCHEMBL507612 0.75 REN (0.34) TSHRSMN1; SMN2L3MBTL1RENKCNH2

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 CYP1A2 348/4885CYP2D6 567/4885CYP2C19 275/4885
US-20120028961-A1 6 Substituted 2, 3,4,5 Tetrahydro-1H-Benzo[d]Azepines as 5-HT2c Receptor Agonist HTR2C, HTR4, HTR1A CYP1A2 239/4885CYP2D6 264/4885CYP2C19 164/4885

“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.