SCHEMBL5758570

SCHEMBL5758570

CC1CC(c2ccc3ccccc3c2)CCN1C(=O)Oc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.46
CHRNA3 P32297 1/20 0.46
CHRNA7 P36544 1/20 0.44
HTR3A P46098 1/20 0.44
ALDH1A1 P00352 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
PDE4B Q07343 1/20 0.44
SLC6A4 P31645 2/20 0.43
DRD2 P14416 1/20 0.43
ROCK2 O75116 4/20 0.41
PRKG1 Q13976 4/20 0.41
FAAH O00519 2/20 0.41
HRH3 Q9Y5N1 1/20 0.41
HTR1A P08908 1/20 0.41
POLB P06746 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40

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
SCHEMBL7955710 1.00 GAA (0.46) GAACHRNA3CHRNA7HTR3AALDH1A1
SCHEMBL7955713 1.00 GAA (0.46) GAACHRNA3CHRNA7HTR3AALDH1A1
SCHEMBL7955274 0.80 ACHE (0.46) GAACHRNA7HTR3AALDH1A1SMN1; SMN2
SCHEMBL7955279 0.80 ACHE (0.46) GAACHRNA7HTR3AALDH1A1SMN1; SMN2
SCHEMBL7955276 0.80 ACHE (0.46) GAACHRNA7HTR3AALDH1A1SMN1; SMN2
SCHEMBL7968426 0.76 SLC6A4 (0.55) SLC6A4DRD2HRH3HTR1A
SCHEMBL5756822 0.74 SLC6A4 (0.57) SLC6A4DRD2HRH3HTR1A
SCHEMBL7151596 0.74 KDM4E (0.44) ALDH1A1PDE4BROCK2PRKG1POLB
SCHEMBL5697246 0.73 ALDH1A1 (0.68) GAACHRNA7HTR3AALDH1A1SMN1; SMN2
SCHEMBL24700140 0.72 NAMPT (0.46)

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 8 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
US-6303627-B1 FOR THERAPY OF PHYSIOLOGICAL AND PSYCHOLOGICAL DISORDERS ELI LILLY AND COMPANY 2001-10-16 US disclosed
WO-2001046181-A1 INDOLE DERIVATIVES FOR THE TREATMENT OF DEPRESSION AND ANXIETY ELI LILLY AND COMPANY (US) 2001-06-28 WO disclosed
WO-1999065487-A1 INHIBITORS OF SEROTONIN REUPTAKE ELI LILLY AND COMPANY (US) 1999-12-23 WO disclosed
EP-0965587-A1 Tetrahydropyridinyl- and piperidinyl Inhibitors of serotonin reuptake ELI LILLY AND COMPANY (US) 1999-12-22 EP 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 GAA 4477/4885CHRNA3 31/4885CHRNA7 26/4885

“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.