SCHEMBL507092

SCHEMBL507092

Cn1ccnc1-c1ccc(CNc2c(Cl)ccc3c2CCN(C(=O)C(F)(F)F)CC3)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK1 Q15118 3/20 0.36
PDK2 Q15119 3/20 0.36
PDK3 Q15120 3/20 0.36
PDK4 Q16654 3/20 0.36
ESR1 P03372 3/20 0.36
ESR2 Q92731 3/20 0.36
CNR1 P21554 1/20 0.34
CNR2 P34972 1/20 0.34
ASPH Q12797 1/20 0.33
KDM8 Q8N371 1/20 0.33
AXL P30530 2/20 0.32
TYRO3 Q06418 2/20 0.32
MERTK Q12866 2/20 0.32
PDE5A O76074 1/20 0.32
ACKR3 P25106 1/20 0.32
HDAC4 P56524 2/20 0.32
NR3C2 P08235 1/20 0.32
FLT1 P17948 1/20 0.32
KDR P35968 1/20 0.32
ADORA3 P0DMS8 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
SCHEMBL506885 0.86 GPR142 (0.43) ESR1ESR2ASPHKDM8ACKR3
SCHEMBL506344 0.83 ESR1 (0.44) ESR1ESR2ACKR3
SCHEMBL506258 0.82 ESR2 (0.51) ESR1ESR2ASPHKDM8ACKR3
SCHEMBL507044 0.82 ESR1 (0.41) ESR1ESR2PDE5AACKR3
SCHEMBL507153 0.82 ESR1 (0.41) ESR1ESR2ASPHKDM8ACKR3
SCHEMBL12160192 0.81 ESR1 (0.42) ESR1ESR2ASPHKDM8PDE5A
SCHEMBL506930 0.81 ESR1 (0.49) ESR1ESR2ASPHKDM8PDE5A
SCHEMBL507562 0.81 ESR1 (0.40) ESR1ESR2
Hydrochloric Acid SCHEMBL2578390 0.81 ESR1 (0.41) ESR1ESR2ASPHKDM8PDE5A
SCHEMBL2582079 0.80 NPY2R (0.39) ESR1ESR2

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 PDK1 3761/4885PDK2 2106/4885PDK3 2799/4885
US-20120028961-A1 6 Substituted 2, 3,4,5 Tetrahydro-1H-Benzo[d]Azepines as 5-HT2c Receptor Agonist HTR2C, HTR4, HTR1A PDK1 3768/4885PDK2 2066/4885PDK3 2962/4885

“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.