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SCHEMBL507182

SCHEMBL507182

CC(C)(C)OC(=O)N1CCc2ccc(Cl)c(SCC(=O)c3ccc(F)cc3)c2CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ESR2 Q92731 1/20 0.42
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ NR1H2 P55055 1/20 0.39
▸ KDM1A O60341 1/20 0.38
▸ MDM4 O15151 1/20 0.37
▸ MDM2 Q00987 1/20 0.37
▸ S1PR2 O95136 1/20 0.37
▸ PTGER4 P35408 1/20 0.37
▸ GRM5 P41594 1/20 0.36
▸ GRM1 Q13255 1/20 0.36
▸ RORC P51449 1/20 0.36
▸ TACR3 P29371 1/20 0.36
▸ HTT P42858 2/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ GPR119 Q8TDV5 2/20 0.35
▸ BRD3 Q15059 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ MAPT P10636 1/20 0.35

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
SCHEMBL507672 0.83 ESR2 (0.46) ESR2MEN1KMT2ANR1H2HTT
SCHEMBL507019 0.82 ESR2 (0.46) ESR2MEN1KMT2ANR1H2KDM1A
SCHEMBL507640 0.81 ESR2 (0.39) ESR2NR1H2KDM1AGRM5GRM1
SCHEMBL10229265 0.81 ESR2 (0.48) ESR2MEN1KMT2ANR1H2KDM1A
SCHEMBL506895 0.81 GPR119 (0.42) ESR2MEN1KMT2ANR1H2KDM1A
SCHEMBL507934 0.81 ESR2 (0.42) ESR2MEN1KMT2ANR1H2KDM1A
SCHEMBL506920 0.81 ESR2 (0.42) ESR2MEN1KMT2ANR1H2KDM1A
SCHEMBL507951 0.80 KDM1A (0.38) ESR2NR1H2KDM1AGRM5GRM1
SCHEMBL507993 0.80 ESR2 (0.45) ESR2MEN1KMT2ANR1H2GPR119
SCHEMBL506945 0.80 MAPT (0.51) ESR2NR1H2KDM1AGRM5GRM1

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 ESR2 210/4885MEN1 3996/4885KMT2A 1239/4885
US-20120028961-A1 6 Substituted 2, 3,4,5 Tetrahydro-1H-Benzo[d]Azepines as 5-HT2c Receptor Agonist HTR2C, HTR4, HTR1A ESR2 319/4885MEN1 3801/4885KMT2A 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.