SCHEMBL506854

SCHEMBL506854

O=C(N1CCc2ccc(F)c(NCc3ccc(F)cc3)c2CC1)C(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
ESR1 P03372 3/20 0.42
ESR2 Q92731 3/20 0.42
GAA P10253 2/20 0.38
KDM4E B2RXH2 2/20 0.38
MAPT P10636 2/20 0.38
ALOX15 P16050 1/20 0.38
ALOX12 P18054 1/20 0.38
GFER P55789 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
GRM1 Q13255 3/20 0.38
ACKR3 P25106 1/20 0.36
PTGDR2 Q9Y5Y4 3/20 0.35
VNN1 O95497 1/20 0.35
GRM5 P41594 1/20 0.35
PARP1 P09874 1/20 0.35
HPGD P15428 1/20 0.35
HTT P42858 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
SCHEMBL506344 0.83 ESR1 (0.44) KMT2AESR1ESR2SMN1; SMN2ACKR3
SCHEMBL506258 0.81 ESR2 (0.51) NPC1MEN1KMT2AESR1ESR2
SCHEMBL12160192 0.80 ESR1 (0.42) NPC1MEN1KMT2AESR1ESR2
Hydrochloric Acid SCHEMBL2578390 0.79 ESR1 (0.41) NPC1MEN1KMT2AESR1ESR2
SCHEMBL507044 0.78 ESR1 (0.41) KMT2AESR1ESR2KDM4ESMN1; SMN2
SCHEMBL507153 0.78 ESR1 (0.41) MEN1KMT2AESR1ESR2ACKR3
SCHEMBL506869 0.78 GRM1 (0.43) MEN1KMT2AESR1ESR2GAA
SCHEMBL507339 0.77 PDE5A (0.41) MEN1KMT2AESR1ESR2SMN1; SMN2
SCHEMBL507562 0.77 ESR1 (0.40) NPC1ESR1ESR2GAAMAPT
SCHEMBL506930 0.77 ESR1 (0.49) KMT2AESR1ESR2KDM4EMAPT

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 NPC1 2664/4885MEN1 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 NPC1 3189/4885MEN1 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.