SCHEMBL507960

SCHEMBL507960

O=C(NCCSc1c(Cl)ccc2c1CCNCC2OC(=O)C(F)(F)F)c1ccncc1

nearest known ligand 0.33

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.33
LMNA P02545 2/20 0.33
MAPK1 P28482 2/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
PARP1 P09874 1/20 0.32
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
NFKB1 P19838 1/20 0.32
NFKB2 Q00653 1/20 0.32
RELA Q04206 1/20 0.32
TSHR P16473 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
TRPV1 Q8NER1 2/20 0.31
ALDH1A1 P00352 2/20 0.31
USP2 O75604 1/20 0.31
SLC2A1 P11166 2/20 0.31
MAPT P10636 1/20 0.31
NLRP3 Q96P20 1/20 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
SCHEMBL2369820 0.88 MRGPRX4 (0.34) TRPV1NLRP3
SCHEMBL507753 0.87 SLC6A2 (0.34) SMN1; SMN2MEN1KMT2ANPC1RAB9A
SCHEMBL507038 0.85 RAB9A (0.36) SMN1; SMN2LMNAMAPK1MEN1KMT2A
SCHEMBL2369383 0.85 GFER (0.34)
SCHEMBL507612 0.84 REN (0.34) SMN1; SMN2TSHRL3MBTL1
SCHEMBL507853 0.79 TBXA2R (0.36) SMN1; SMN2MAPK1MEN1KMT2ANFKB1
Trifluoroacetic Acid SCHEMBL507959 0.79 RAB9A (0.36) SMN1; SMN2LMNAMAPK1MEN1KMT2A
SCHEMBL506659 0.78 PKM (0.34) SMN1; SMN2LMNAMEN1KMT2ATSHR
SCHEMBL507819 0.78 HTR2C (0.30)
SCHEMBL10277888 0.77 MEN1 (0.40) SMN1; SMN2LMNAMAPK1MEN1KMT2A

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 SMN1; SMN2 1853/4885LMNA 4504/4885MAPK1 3503/4885
US-20120028961-A1 6 Substituted 2, 3,4,5 Tetrahydro-1H-Benzo[d]Azepines as 5-HT2c Receptor Agonist HTR2C, HTR4, HTR1A SMN1; SMN2 2954/4885LMNA 4672/4885MAPK1 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.