SCHEMBL5760468

SCHEMBL5760468

CCc1cccc2sc(C3(O)CCN(C(=O)OC(C)(C)C)C(C)C3)cc12

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 2/20 0.35
JAK1 P23458 2/20 0.35
SLC9A1 P19634 1/20 0.34
NR1H2 P55055 11/20 0.34
NR1H3 Q13133 11/20 0.34
RXRA P19793 9/20 0.34
CYP2C9 P11712 1/20 0.33
NAMPT P43490 1/20 0.33
DTYMK P23919 1/20 0.33
ACACB O00763 1/20 0.33
ACACA Q13085 1/20 0.33
S1PR5 Q9H228 1/20 0.32
KDM1A O60341 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
SCHEMBL5757976 0.90 ALDH1A1 (0.37) JAK2JAK1NR1H2NR1H3RXRA
SCHEMBL5761497 0.88 STS (0.35) JAK2JAK1NR1H2NR1H3RXRA
SCHEMBL5756285 0.87 HDAC3 (0.38) JAK2JAK1SLC9A1NR1H2NR1H3
SCHEMBL5758725 0.86 SLC9A1 (0.36) JAK2JAK1SLC9A1NR1H2NR1H3
SCHEMBL7475733 0.85 BCHE (0.34) SLC9A1CYP2C9S1PR5
SCHEMBL5755140 0.80 ACACB (0.36) JAK2JAK1NR1H2NR1H3RXRA
SCHEMBL5759337 0.78 L3MBTL1 (0.43) JAK2JAK1NR1H2NR1H3RXRA
SCHEMBL5758726 0.78 F2RL3 (0.33) JAK2JAK1CYP2C9NAMPTACACB
SCHEMBL5760910 0.77 CHRNA7 (0.36) JAK2JAK1NR1H2NR1H3RXRA
SCHEMBL5755024 0.77 SLC6A2 (0.39) JAK2JAK1NR1H2NR1H3RXRA

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 4 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
US-20030153764-A1 Process for preparing 4-substituted piperidines ELI LILLY AND COMPANY 2003-08-14 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-20040006229-A1 Indole derivatives for the treatment of depression and anxiety IDO1, TPH1, IDO2 JAK2 558/4885JAK1 491/4885SLC9A1 2152/4885
US-20030153764-A1 Process for preparing 4-substituted piperidines PDGFRA, GTF3C5, GRIA4 JAK2 1413/4885JAK1 3326/4885SLC9A1 3597/4885

“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.