SCHEMBL507840

SCHEMBL507840

COCCCN1C(=O)C(C)(C)c2ccccc21

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.49
KMT2A Q03164 3/20 0.49
CYP2D6 P10635 2/20 0.49
LMNA P02545 5/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
TP53 P04637 3/20 0.45
ALDH1A1 P00352 4/20 0.44
MAPT P10636 4/20 0.44
CYP3A4 P08684 3/20 0.43
CYP2C9 P11712 2/20 0.43
NFKB1 P19838 1/20 0.43
THPO P40225 1/20 0.43
HIF1A Q16665 1/20 0.43
RXFP1 Q9HBX9 2/20 0.42
MEN1 O00255 2/20 0.42
GMNN O75496 1/20 0.42
MAPK1 P28482 1/20 0.42
BLM P54132 1/20 0.42
PMP22 Q01453 1/20 0.42
TSHR P16473 2/20 0.42

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
SCHEMBL12354332 0.96 CYP2D6 (0.48) CYP1A2KMT2ACYP2D6LMNASMN1; SMN2
SCHEMBL3074451 0.83 KMT2A (0.40) KMT2ACYP2D6LMNATP53ALDH1A1
SCHEMBL507636 0.82 KMT2A (0.51) CYP1A2KMT2ACYP2D6LMNASMN1; SMN2
SCHEMBL319784 0.82 KMT2A (0.51) CYP1A2KMT2ACYP2D6LMNASMN1; SMN2
SCHEMBL23865489 0.80 TP53 (0.50) CYP1A2KMT2ACYP2D6LMNASMN1; SMN2
SCHEMBL11640552 0.79 CYP2D6 (0.78) CYP1A2KMT2ACYP2D6LMNASMN1; SMN2
SCHEMBL12354327 0.79 KMT2A (0.39) KMT2ALMNASMN1; SMN2TP53ALDH1A1
SCHEMBL3797554 0.79 ALDH1A1 (0.41) CYP1A2KMT2ACYP2D6LMNASMN1; SMN2
SCHEMBL3069018 0.79 TDP1 (0.36) KMT2ACYP2D6LMNASMN1; SMN2ALDH1A1
SCHEMBL31559833 0.78 TP53 (0.52) CYP1A2KMT2ACYP2D6LMNASMN1; SMN2

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 CYP1A2 348/4885KMT2A 1239/4885CYP2D6 567/4885
US-20120028961-A1 6 Substituted 2, 3,4,5 Tetrahydro-1H-Benzo[d]Azepines as 5-HT2c Receptor Agonist HTR2C, HTR4, HTR1A CYP1A2 239/4885KMT2A 1218/4885CYP2D6 264/4885

“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.