SCHEMBL10277974

SCHEMBL10277974

COC(=O)c1ccc(CSc2c(Cl)ccc3c2CCCCC3)cc1F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 3/20 0.41
RXRB P28702 2/20 0.41
RXRG P48443 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.37
SCN9A Q15858 2/20 0.36
SLC6A2 P23975 2/20 0.35
SLC6A3 Q01959 2/20 0.35
PARP1 P09874 1/20 0.35
TP53 P04637 2/20 0.35
MAPT P10636 2/20 0.35
PTPRG P23470 3/20 0.34
PTPRC P08575 3/20 0.34
MMP13 P45452 1/20 0.34
METAP2 P50579 1/20 0.34
MEN1 O00255 2/20 0.33
LMNA P02545 2/20 0.33
KMT2A Q03164 2/20 0.33
PTPN1 P18031 1/20 0.33
ALDH1A1 P00352 1/20 0.33
TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL10277787 0.89 RXRA (0.47) RXRARXRBRXRGSMN1; SMN2PARP1
SCHEMBL507806 0.83 ESR2 (0.39) SMN1; SMN2SCN9AMEN1KMT2A
SCHEMBL10278028 0.78 MEN1 (0.33) RXRARXRBRXRGSLC6A2SLC6A3
SCHEMBL10277979 0.76 POLB (0.39) PTPRGPTPRC
SCHEMBL10476170 0.76 NPC1 (0.43) SMN1; SMN2PARP1
Hydrochloric Acid SCHEMBL507288 0.75 POLB (0.38) PTPRGPTPRC
SCHEMBL10476242 0.75 POLB (0.39) MAPTMEN1LMNAKMT2AALDH1A1
Hydrochloric Acid SCHEMBL508519 0.75 NPC1 (0.43) SMN1; SMN2PARP1
SCHEMBL10274868 0.74 KMT2A (0.38) RXRARXRBRXRGSMN1; SMN2TP53
SCHEMBL10274866 0.74 TSHR (0.40) TP53MAPTLMNAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 RXRA 861/4885RXRB 860/4885RXRG 786/4885
US-20120028961-A1 6 Substituted 2, 3,4,5 Tetrahydro-1H-Benzo[d]Azepines as 5-HT2c Receptor Agonist HTR2C, HTR4, HTR1A RXRA 1616/4885RXRB 1847/4885RXRG 1407/4885

“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.