Sugi Predict

Sugi Predict / Compounds / SCHEMBL508214

SCHEMBL508214

SCHEMBL508214

O=C(C1CCCCC1)N(Cc1ccccc1)c1c(Cl)ccc2c1CCN(C(=O)C(F)(F)F)CC2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ LMNA P02545 1/20 0.43
▸ ACHE P22303 1/20 0.41
▸ OPRM1 P35372 1/20 0.37
▸ KDM4E B2RXH2 2/20 0.37
▸ MEN1 O00255 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ MAPT P10636 1/20 0.37
▸ KEAP1 Q14145 1/20 0.36
▸ CNR2 P34972 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ HTR1A P08908 1/20 0.35
▸ DRD4 P21917 1/20 0.35
▸ HTR2A P28223 1/20 0.35
▸ HTR7 P34969 1/20 0.35
▸ ADRA1A P35348 1/20 0.35
▸ ADRA1B P35368 1/20 0.35
▸ HTR2B P41595 1/20 0.35
▸ ESR1 P03372 2/20 0.35
▸ ESR2 Q92731 2/20 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
SCHEMBL507314 0.80 LMNA (0.48) SMN1; SMN2LMNAACHEOPRM1KDM4E
SCHEMBL506872 0.79 ACKR3 (0.39) ACKR3
Succinic Acid SCHEMBL507540 0.77 LMNA (0.45) SMN1; SMN2LMNAACHEOPRM1KDM4E
SCHEMBL507390 0.71 ESR1 (0.39) MEN1KMT2AESR1ESR2ACKR3
SCHEMBL14115667 0.70 ESR1 (0.46) LMNAMEN1KMT2AMAPTESR1
SCHEMBL508213 0.70 ESR1 (0.37) SMN1; SMN2LMNAESR1ESR2HTT
SCHEMBL2580046 0.70 ESR1 (0.37) SMN1; SMN2KEAP1ESR1ESR2ACKR3
SCHEMBL2209332 0.69 ESR1 (0.47) LMNAHTR2AHTR2BESR1ESR2
SCHEMBL3968661 0.69 HDAC6 (0.43) HTR1AHTR2AHTR2B
SCHEMBL2591618 0.69 PTPN1 (0.39) MEN1KMT2AMAPTESR1ESR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1720836-B1 6-SUBSTITUTED 2,3,4,5-TETRAHYDRO-1H-BENZO [D]AZEPINES AS 5-HT2C RECEPTOR AGONISTS LILLY CO ELI (US) 2014-04-16 — — EP disclosed
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 4504/4885ACHE 3711/4885
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 4672/4885ACHE 2690/4885

“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.