Sugi Predict

Sugi Predict / Compounds / SCHEMBL506715

SCHEMBL506715

SCHEMBL506715

CC(C)(C)CC(=O)c1ccc(CNc2c(Cl)ccc3c2CCN(C(=O)C(F)(F)F)CC3)cc1Cl

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 4/20 0.39
▸ ESR2 Q92731 4/20 0.39
▸ PDE5A O76074 6/20 0.34
▸ ENPP2 Q13822 1/20 0.34
▸ NR1H4 Q96RI1 1/20 0.33
▸ HDAC6 Q9UBN7 1/20 0.33
▸ P2RY12 Q9H244 1/20 0.33
▸ ACKR3 P25106 1/20 0.33
▸ MAPK1 P28482 1/20 0.32
▸ P2RX7 Q99572 1/20 0.32
▸ HRH3 Q9Y5N1 1/20 0.32
▸ AVPR2 P30518 1/20 0.31
▸ PDK2 Q15119 1/20 0.31
▸ PDE6D O43924 1/20 0.31
▸ PDE6A P16499 1/20 0.31
▸ PDE6G P18545 1/20 0.31
▸ PDE6B P35913 1/20 0.31
▸ PDE6C P51160 1/20 0.31
▸ PDE6H Q13956 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
SCHEMBL507895 0.93 ESR1 (0.37) ESR1ESR2PDE5AENPP2NR1H4
SCHEMBL508702 0.88 ESR1 (0.38) ESR1ESR2HDAC6ACKR3
SCHEMBL506435 0.84 ESR1 (0.46) ESR1ESR2PDE5AENPP2ACKR3
SCHEMBL507369 0.83 ESR1 (0.39) ESR1ESR2PDE5AP2RY12ACKR3
SCHEMBL506300 0.83 PDE5A (0.47) ESR1ESR2PDE5APDE6DPDE6A
SCHEMBL508785 0.83 ESR1 (0.39) ESR1ESR2PDE5AENPP2HDAC6
SCHEMBL508264 0.82 ESR1 (0.39) ESR1ESR2NR1H4HDAC6ACKR3
SCHEMBL507153 0.82 ESR1 (0.41) ESR1ESR2NR1H4ACKR3
SCHEMBL506344 0.82 ESR1 (0.44) ESR1ESR2ACKR3MAPK1
SCHEMBL2588372 0.82 ERCC5 (0.34) ESR1ESR2HDAC6ACKR3

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 ESR1 331/4885ESR2 210/4885PDE5A 2108/4885
US-20120028961-A1 6 Substituted 2, 3,4,5 Tetrahydro-1H-Benzo[d]Azepines as 5-HT2c Receptor Agonist HTR2C, HTR4, HTR1A ESR1 311/4885ESR2 319/4885PDE5A 1396/4885

“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.