SCHEMBL5202862

SCHEMBL5202862

CN1CCCN(c2ccc(C(=O)Nc3ccc(F)cc3C(=O)Nc3ccc(F)cn3)nc2)CC1

nearest known ligand 0.63

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
F10 P00742 13/20 0.63
HDAC3 O15379 5/20 0.48
HDAC2 Q92769 3/20 0.48
CYP1A2 P05177 1/20 0.47
CYP2C18 P33260 1/20 0.47
CYP2C19 P33261 1/20 0.47
KCNH2 Q12809 1/20 0.47
HDAC8 Q9BY41 1/20 0.46
HTR1F P30939 1/20 0.46

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
SCHEMBL5201428 0.94 F10 (0.73) F10
Hydrochloric Acid SCHEMBL5202363 0.93 F10 (0.73) F10
SCHEMBL5201184 0.90 F10 (0.59) F10HDAC3HDAC8
SCHEMBL5205121 0.86 F10 (0.64) F10HDAC3HDAC2CYP1A2CYP2C18
SCHEMBL5205064 0.86 F10 (0.83) F10
SCHEMBL5205659 0.86 HDAC3 (0.56) F10HDAC3HDAC2KCNH2
SCHEMBL5208597 0.85 F10 (0.70) F10
SCHEMBL5390954 0.85 F10 (0.87) F10
SCHEMBL5204970 0.85 MAPT (0.48) F10
SCHEMBL5201704 0.84 F10 (0.74) F10

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1307444-B1 SUBSTITUTED HETEROCYCLIC AMIDES LILLY CO ELI (US) 2007-10-03 EP disclosed
EP-1307444-B1 SUBSTITUTED HETEROCYCLIC AMIDES LILLY CO ELI (US) 2007-10-03 EP disclosed
US-7160878-B2 Substituted heterocyclic amides ELI LILLY AND COMPANY (US) 2007-01-09 US disclosed
US-7160878-B2 Substituted heterocyclic amides ELI LILLY AND COMPANY (US) 2007-01-09 US disclosed
US-7160878-B2 Substituted heterocyclic amides ELI LILLY AND COMPANY (US) 2007-01-09 US disclosed
US-20040097491-A1 Substituted heterocyclic amides HERRON DAVID KENT (US) 2004-05-20 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-20040097491-A1 Substituted heterocyclic amides F12, F11, F8 F10 11/4885HDAC3 149/4885HDAC2 256/4885

“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.