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SCHEMBL5759899

SCHEMBL5759899

COc1cccc2ccc(C3(O)CCN(C(=O)OC(C)(C)C)CC3)cc12

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ACACB O00763 1/20 0.43
▸ ACACA Q13085 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.41
▸ CYP11B2 P19099 1/20 0.40
▸ BACE1 P56817 2/20 0.40
▸ PDE4A P27815 2/20 0.39
▸ PDE4B Q07343 2/20 0.39
▸ PDE4C Q08493 2/20 0.39
▸ PDE4D Q08499 2/20 0.39
▸ TSHR P16473 2/20 0.39
▸ ALOX15 P16050 1/20 0.39
▸ ATM Q13315 1/20 0.39
▸ ABCB1 P08183 1/20 0.39
▸ TGFBR1 P36897 1/20 0.39
▸ TACR1 P25103 1/20 0.39
▸ KDM1A O60341 1/20 0.39
▸ ALK Q9UM73 1/20 0.38
▸ STS P08842 1/20 0.38

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
SCHEMBL5758939 0.84 ACACB (0.35) ACACBACACAALDH1A1KDM4EPDE4A
SCHEMBL7474464 0.82 APP (0.41) ACACBACACAALDH1A1KDM4E
SCHEMBL7967262 0.81 ALDH1A1 (0.49) ALDH1A1BACE1STS
SCHEMBL519566 0.80 KDM4E (0.44) ALDH1A1KDM4EBACE1PDE4APDE4B
SCHEMBL16874615 0.80 KDM4E (0.47) ALDH1A1KDM4EPDE4APDE4BPDE4C
SCHEMBL3078681 0.80 KDM4E (0.49) ALDH1A1KDM4EPDE4APDE4BPDE4C
SCHEMBL5240524 0.80 ALDH1A1 (0.65) ALDH1A1TSHRALOX15ATM
SCHEMBL6587457 0.79 ROCK2 (0.44) ALDH1A1KDM4EBACE1PDE4APDE4B
SCHEMBL7099621 0.78 HDAC1 (0.42) ALDH1A1PDE4APDE4BPDE4CPDE4D
SCHEMBL6586105 0.78 ALDH1A1 (0.52) ALDH1A1BACE1STS

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
US-20030153764-A1 Process for preparing 4-substituted piperidines ELI LILLY AND COMPANY 2003-08-14 — — US disclosed
US-20030092733-A1 Process for preparing trans-2,4-disubstituted piperidines ELI LILLY AND COMPANY 2003-05-15 — — 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 (3 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 ACACB 2154/4885ACACA 1423/4885ALDH1A1 101/4885
US-20030092733-A1 Process for preparing trans-2,4-disubstituted piperidines CYP4B1, CYP1A1, CYP3A4 ACACB 3877/4885ACACA 4177/4885ALDH1A1 981/4885
US-20030153764-A1 Process for preparing 4-substituted piperidines PDGFRA, GTF3C5, GRIA4 ACACB 3924/4885ACACA 3273/4885ALDH1A1 1802/4885

“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.