SCHEMBL5757976

SCHEMBL5757976

CC1CC(O)(c2cc3c(F)cccc3s2)CCN1C(=O)OC(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.37
POLB P06746 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
SCN9A Q15858 1/20 0.36
NR1H2 P55055 9/20 0.35
NR1H3 Q13133 8/20 0.35
RXRA P19793 7/20 0.35
JAK2 O60674 2/20 0.35
JAK1 P23458 2/20 0.35
CHRNA7 P36544 1/20 0.34
KDM1A O60341 1/20 0.33
ACACB O00763 1/20 0.33
CYP2C9 P11712 1/20 0.33
NAMPT P43490 1/20 0.33
SETD7 Q8WTS6 1/20 0.33
GPR119 Q8TDV5 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
SCHEMBL5758725 0.91 SLC9A1 (0.36) NR1H2NR1H3RXRAJAK2JAK1
SCHEMBL5761497 0.90 STS (0.35) ALDH1A1L3MBTL1NR1H2NR1H3RXRA
SCHEMBL5760468 0.90 JAK2 (0.35) NR1H2NR1H3RXRAJAK2JAK1
SCHEMBL5756285 0.90 HDAC3 (0.38) NR1H2NR1H3RXRAJAK2JAK1
SCHEMBL5761284 0.87 CHRNA7 (0.37) SCN9ANR1H2NR1H3RXRAJAK2
SCHEMBL5760910 0.83 CHRNA7 (0.36) L3MBTL1NR1H2NR1H3RXRAJAK2
SCHEMBL5755024 0.83 SLC6A2 (0.39) L3MBTL1NR1H2NR1H3RXRAJAK2
SCHEMBL5754731 0.83 ALDH1A1 (0.44) ALDH1A1POLBCYP2C9NAMPTGPR119
SCHEMBL5755140 0.82 ACACB (0.36) ALDH1A1POLBL3MBTL1NR1H2NR1H3
SCHEMBL5759337 0.80 L3MBTL1 (0.43) POLBL3MBTL1NR1H2NR1H3RXRA

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-7144898-B2 Indole derivatives for the treatment of depression and anxiety ELI LILLY AND COMPANY (US) 2006-12-05 US disclosed
EP-1242411-B1 INDOLE DERIVATIVES FOR THE TREATMENT OF DEPRESSION AND ANXIETY LILLY CO ELI (US) 2006-03-08 EP disclosed
US-20040006229-A1 Indole derivatives for the treatment of depression and anxiety ELI LILLY AND COMPANY 2004-01-08 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 (1 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-20040006229-A1 Indole derivatives for the treatment of depression and anxiety IDO1, TPH1, IDO2 ALDH1A1 101/4885POLB 3637/4885L3MBTL1 3780/4885

“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.