SCHEMBL2369820

SCHEMBL2369820

O=C(NCCCSc1c(Cl)ccc2c1CCNCC2OC(=O)C(F)(F)F)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 5/20 0.34
RHOC P08134 1/20 0.34
RHOA P61586 1/20 0.34
NAMPT P43490 1/20 0.33
NLRP3 Q96P20 1/20 0.33
EPHX2 P34913 1/20 0.33
DPP4 P27487 2/20 0.33
TRPV1 Q8NER1 2/20 0.33
DHODH Q02127 1/20 0.32
TMEM97 Q5BJF2 1/20 0.32
SIGMAR1 Q99720 1/20 0.32
PTGDR2 Q9Y5Y4 1/20 0.32

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
SCHEMBL507038 0.94 RAB9A (0.36) MRGPRX4EPHX2TRPV1TMEM97SIGMAR1
SCHEMBL507753 0.93 SLC6A2 (0.34) MRGPRX4TRPV1
SCHEMBL507960 0.88 SMN1; SMN2 (0.33) NLRP3TRPV1
SCHEMBL506659 0.83 PKM (0.34)
SCHEMBL2369383 0.81 GFER (0.34)
SCHEMBL10229247 0.80 NAMPT (0.41) MRGPRX4RHOCRHOANAMPTEPHX2
SCHEMBL507612 0.80 REN (0.34)
SCHEMBL508344 0.79
Trifluoroacetic Acid SCHEMBL2369816 0.79 NAMPT (0.39) MRGPRX4RHOCRHOANAMPTNLRP3
SCHEMBL507819 0.77 HTR2C (0.30)

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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 (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-20090099155-A1 6-SUBSTITUTED 2,3,4,5-TETRAHYDRO-1H-BENZO[D]AZEPINES AS 5-HT2C RECEPTOR AGONISTS HTR2C, HTR5A, HTR4 MRGPRX4 413/4885RHOC 2663/4885RHOA 4780/4885

“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.