SCHEMBL6811078

SCHEMBL6811078

C[C@@H]1CN(c2csc3cc(F)ccc23)CCN1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.46
DRD4 P21917 2/20 0.45
HTR2A P28223 2/20 0.45
TP53 P04637 4/20 0.44
THRB P10828 1/20 0.44
HTR2C P28335 1/20 0.40
LMNA P02545 2/20 0.39
ALDH1A1 P00352 1/20 0.39
HSD11B1 P28845 1/20 0.38
XIAP P98170 1/20 0.38
KHK P50053 1/20 0.37
ADRA1A P35348 1/20 0.37

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
SCHEMBL6811475 1.00 MAPT (0.46) MAPTDRD4HTR2ATP53THRB
SCHEMBL13200493 0.85 DRD4 (0.45) MAPTDRD4HTR2ATP53THRB
SCHEMBL5088742 0.82 XIAP (0.38) MAPTTP53HTR2CLMNAALDH1A1
SCHEMBL2966951 0.81 MAPT (0.48) MAPTDRD4HTR2ATP53THRB
Hydrochloric Acid SCHEMBL6220144 0.80 MAPT (0.47) MAPTDRD4HTR2ATP53THRB
SCHEMBL5631643 0.76 XIAP (0.45) MAPTHTR2CLMNAALDH1A1HSD11B1
SCHEMBL14922244 0.76 ALDH1A1 (0.48) MAPTHTR2CLMNAALDH1A1HSD11B1
SCHEMBL5631645 0.76 XIAP (0.45) MAPTHTR2CLMNAALDH1A1HSD11B1
SCHEMBL6811380 0.76 HTR2C (0.44) MAPTHTR2CLMNAALDH1A1HSD11B1
SCHEMBL2968890 0.76 MAPT (0.50) MAPTDRD4HTR2ATP53THRB

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-20040122001-A1 Pharmaceutical compounds ELI LILLY AND COMPANY 2004-06-24 US disclosed
EP-1345930-A2 PHARMACEUTICAL COMPOUNDS ELI LILLY AND COMPANY (US) 2003-09-24 EP disclosed
WO-2002050067-A2 PHARMACEUTICAL HETEROCYCLIC COMPOUNDS ELI LILLY AND COMPANY (US) 2002-06-27 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-20040122001-A1 Pharmaceutical compounds CYP2D6, LPXN, CYP1B1 MAPT 2401/4885DRD4 715/4885HTR2A 2038/4885

“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.