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SCHEMBL507753

SCHEMBL507753

O=C(NCCCSc1c(Cl)ccc2c1CCNCC2OC(=O)C(F)(F)F)c1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ SLC6A2 P23975 2/20 0.34
▸ SLC6A4 P31645 2/20 0.34
▸ KMT2A Q03164 3/20 0.34
▸ POLB P06746 1/20 0.34
▸ RAB9A P51151 3/20 0.33
▸ MRGPRX4 Q96LA9 2/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ MLYCD O95822 2/20 0.33
▸ TRPV1 Q8NER1 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ NPC1 O15118 2/20 0.32
▸ RECQL P46063 1/20 0.32
▸ DRD3 P35462 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ BRD4 O60885 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
SCHEMBL507038 0.91 RAB9A (0.36) KMT2APOLBRAB9AMRGPRX4SMN1; SMN2
SCHEMBL506659 0.89 PKM (0.34) KMT2ASMN1; SMN2ALDH1A1MEN1
SCHEMBL507960 0.87 SMN1; SMN2 (0.33) KMT2ARAB9ASMN1; SMN2ALDH1A1TRPV1
SCHEMBL507853 0.82 TBXA2R (0.36) KMT2ASMN1; SMN2ALDH1A1GAAMEN1
SCHEMBL2369383 0.82 GFER (0.34) —
SCHEMBL508344 0.82 — —
SCHEMBL507612 0.80 REN (0.34) SMN1; SMN2L3MBTL1
Trifluoroacetic Acid SCHEMBL507752 0.80 KMT2A (0.37) KMT2APOLBRAB9ASMN1; SMN2ALDH1A1
SCHEMBL507819 0.78 HTR2C (0.30) —
SCHEMBL10229243 0.77 KMT2A (0.41) KMT2APOLBRAB9ASMN1; SMN2ALDH1A1

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 SLC6A2 259/4885SLC6A4 99/4885KMT2A 1239/4885
US-20120028961-A1 6 Substituted 2, 3,4,5 Tetrahydro-1H-Benzo[d]Azepines as 5-HT2c Receptor Agonist HTR2C, HTR4, HTR1A SLC6A2 223/4885SLC6A4 42/4885KMT2A 1218/4885

“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.