SCHEMBL5756058

SCHEMBL5756058

CC1CC(c2cc3c(C(F)(F)F)cccc3s2)CCN1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 3/20 0.45
SLC9A1 P19634 2/20 0.38
HTR2C P28335 4/20 0.36
P2RY14 Q15391 1/20 0.34
PNMT P11086 1/20 0.34
PLG P00747 1/20 0.33
GABRA1 P14867 1/20 0.32
GABRA5 P31644 1/20 0.32
CHRNB2 P17787 1/20 0.32
CHRNA4 P43681 1/20 0.32
ADORA2A P29274 4/20 0.32
ADORA1 P30542 4/20 0.32
CYP3A4 P08684 2/20 0.32
KCNH2 Q12809 2/20 0.32
ADORA3 P0DMS8 1/20 0.32
ADORA2B P29275 1/20 0.32
CYP2C19 P33261 1/20 0.32
ABCG2 Q9UNQ0 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
SCHEMBL5756057 1.00 HTR1A (0.45) HTR1ASLC9A1HTR2CP2RY14PNMT
SCHEMBL5758860 1.00 HTR1A (0.45) HTR1ASLC9A1HTR2CP2RY14PNMT
SCHEMBL5758589 0.86 HTR1A (0.41) HTR1APLG
SCHEMBL5760366 0.86 HTR1A (0.41) HTR1APLG
SCHEMBL5758594 0.86 HTR1A (0.41) HTR1APLG
SCHEMBL5758273 0.82 HTR1A (0.43) HTR1APLG
SCHEMBL5756274 0.82 HTR1A (0.43) HTR1APLG
SCHEMBL5756271 0.82 HTR1A (0.43) HTR1APLG
SCHEMBL5856322 0.81 CA2 (0.38) HTR1APLG
SCHEMBL5759705 0.81 CA2 (0.38) HTR1APLG

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 HTR1A 4/4885SLC9A1 2152/4885HTR2C 13/4885

“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.