SCHEMBL128141

SCHEMBL128141

Fc1ccc(F)c(C(c2cn[nH]c2)N2CCN(c3nccnc3Cl)CC2)c1

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
RPS6KB1 P23443 8/20 0.39
MALT1 Q9UDY8 1/20 0.36
MAPT P10636 1/20 0.35
ACHE P22303 1/20 0.35
MCOLN2 Q8IZK6 1/20 0.33
NTRK1 P04629 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP3A5 P20815 1/20 0.33
OGA O60502 1/20 0.33

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
SCHEMBL123222 0.88 MCOLN2 (0.40) RPS6KB1MAPTACHEMCOLN2
SCHEMBL124745 0.86 RPS6KB1 (0.43) RPS6KB1MALT1MAPT
Hydrochloric Acid SCHEMBL123254 0.83 PDE10A (0.41) RPS6KB1MAPTACHE
SCHEMBL3323014 0.81 ALDH1A1 (0.46) MAPTACHE
SCHEMBL3321649 0.76 OGA (0.39) OGA
SCHEMBL3323482 0.74 ACHE (0.39) RPS6KB1MAPTACHE
SCHEMBL3322908 0.73 OGA (0.41) RPS6KB1NTRK1OGA
Hydrochloric Acid SCHEMBL3322849 0.72 MAPT (0.40) RPS6KB1MAPTACHE
Hydrochloric Acid SCHEMBL3325655 0.71 RPS6KB1 (0.43) RPS6KB1MAPTACHE
Hydrochloric Acid SCHEMBL125369 0.71 PDE10A (0.40) RPS6KB1

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
EP-2201002-B1 5-HT7 RECEPTOR ANTAGONISTS LILLY CO ELI (US) 2012-03-07 EP disclosed
US-7910588-B2 5-HT7 receptor antagonists ELI LILLY AND COMPANY (US) 2011-03-22 US disclosed
US-20100197700-A1 5-HT7 RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY 2010-08-05 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-20100197700-A1 5-HT7 RECEPTOR ANTAGONISTS HTR7, HTR1A, HTR2C RPS6KB1 1468/4885MALT1 4283/4885MAPT 2788/4885

“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.