SCHEMBL5760656

SCHEMBL5760656

Cc1csc2ccc(C3(O)CCN(C(=O)OC(C)(C)C)C(C)C3)cc12

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 2/20 0.37
HTR3A P46098 2/20 0.37
ACACB O00763 2/20 0.36
JAK2 O60674 2/20 0.33
JAK1 P23458 2/20 0.33
LMNA P02545 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
SETD7 Q8WTS6 1/20 0.33
DRD2 P14416 2/20 0.32
NR1H2 P55055 3/20 0.32
RXRA P19793 2/20 0.32
NR1H3 Q13133 2/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
LPAR5 Q9H1C0 1/20 0.31
MAPT P10636 1/20 0.31
CYP2A6 P11509 1/20 0.31
KDM1A O60341 1/20 0.31
CYP2C9 P11712 1/20 0.31
NAMPT P43490 1/20 0.31

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
SCHEMBL5759583 0.84 CHRNA7 (0.38) CHRNA7HTR3AACACBLMNADRD2
SCHEMBL5758849 0.82 SLC6A2 (0.38) CHRNA7HTR3AACACBJAK2JAK1
SCHEMBL13455154 0.77 RORC (0.43) JAK2JAK1SETD7DRD2NR1H2
SCHEMBL12686825 0.77 DRD2 (0.39) ACACBJAK2JAK1SETD7DRD2
SCHEMBL16423025 0.77 LMNA (0.42) JAK2JAK1LMNASETD7DRD2
SCHEMBL31734998 0.77 DRD2 (0.52) DRD2MAPT
SCHEMBL18689673 0.77 JAK2 (0.44) JAK2JAK1NR1H2RXRANR1H3
SCHEMBL5758939 0.76 ACACB (0.35) ACACBJAK2JAK1NR1H2RXRA
SCHEMBL5759621 0.76 KDM4E (0.41) ACACBSETD7DRD2L3MBTL1
SCHEMBL5755140 0.76 ACACB (0.36) ACACBJAK2JAK1LMNANPSR1

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-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
EP-1242411-A1 INDOLE DERIVATIVES FOR THE TREATMENT OF DEPRESSION AND ANXIETY ELI LILLY AND COMPANY (US) 2002-09-25 EP disclosed
WO-2001046181-A1 INDOLE DERIVATIVES FOR THE TREATMENT OF DEPRESSION AND ANXIETY ELI LILLY AND COMPANY (US) 2001-06-28 WO 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 CHRNA7 26/4885HTR3A 8/4885ACACB 2154/4885

“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.