SCHEMBL10277475

SCHEMBL10277475

OCc1ccc(CSc2c(Cl)ccc3c2CCCCC3)cc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.34
NPC1 O15118 1/20 0.34
TSHR P16473 1/20 0.34
RAB9A P51151 1/20 0.34
HSD11B1 P28845 2/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPK1 P28482 1/20 0.34
LMNA P02545 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CYP1A2 P05177 1/20 0.32
CYP2C9 P11712 1/20 0.32
HPGD P15428 1/20 0.32
CYP2C19 P33261 1/20 0.32
MMP13 P45452 1/20 0.32
PNMT P11086 1/20 0.32
NPSR1 Q6W5P4 3/20 0.32
TDP1 Q9NUW8 2/20 0.32
PPARG P37231 1/20 0.32
KMT2A Q03164 1/20 0.32
NCOA2 Q15596 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
SCHEMBL10278030 0.86 HTT (0.34) HTTNPC1TSHRRAB9AHSD11B1
SCHEMBL10229297 0.85 HTR2C (0.48) PNMT
SCHEMBL10277531 0.84 KMT2A (0.46) NPC1RAB9AALDH1A1LMNAHPGD
Hydrochloric Acid SCHEMBL506961 0.84 HTR2C (0.47) PNMTKMT2A
SCHEMBL10274868 0.83 KMT2A (0.38) HTTNPC1RAB9AALDH1A1LMNA
SCHEMBL10274944 0.81 PTPRG (0.34) HTTNPC1TSHRRAB9AHSD11B1
SCHEMBL10274755 0.80 PGR (0.44) LMNAL3MBTL1PPARGPPARDPPARA
SCHEMBL10277787 0.77 RXRA (0.47) HTTLMNAL3MBTL1NPSR1PTPRG
SCHEMBL10278028 0.77 MEN1 (0.33) HSD11B1ALDH1A1MAPK1L3MBTL1CYP1A2
SCHEMBL10277690 0.75 SLC6A3 (0.37) HSD11B1PNMTKDM4EPTGES2

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 HTT 770/4885NPC1 2664/4885TSHR 170/4885
US-20120028961-A1 6 Substituted 2, 3,4,5 Tetrahydro-1H-Benzo[d]Azepines as 5-HT2c Receptor Agonist HTR2C, HTR4, HTR1A HTT 581/4885NPC1 3189/4885TSHR 143/4885

“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.