SCHEMBL5368296

SCHEMBL5368296

CC(C)(C)OC(=O)N1CCC(c2ccccc2O[C@H]2CCN(C(=O)C(F)(F)F)C2)CC1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.46
PDE4B Q07343 2/20 0.46
ALDH1A1 P00352 1/20 0.45
LMNA P02545 1/20 0.45
GPR119 Q8TDV5 6/20 0.44
USP30 Q70CQ3 1/20 0.43
NAMPT P43490 1/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
PDE4A P27815 1/20 0.42
PDE4C Q08493 1/20 0.42
PDE4D Q08499 1/20 0.42

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
SCHEMBL5104610 0.86 PDE4B (0.53) KDM1APDE4BGPR119NAMPTMEN1
SCHEMBL5371252 0.83 HTR2C (0.44) LMNAMEN1KMT2A
SCHEMBL5371256 0.83 HTR2C (0.44) LMNAMEN1KMT2A
SCHEMBL5365894 0.81 PDE4B (0.48) KDM1APDE4BGPR119USP30PDE4A
SCHEMBL23228721 0.81 GPR119 (0.50) KDM1APDE4BGPR119NAMPTMEN1
SCHEMBL29691266 0.80 GPR119 (0.51) ALDH1A1LMNAGPR119NAMPTMEN1
SCHEMBL23209949 0.80 GPR119 (0.51) ALDH1A1LMNAGPR119NAMPTMEN1
SCHEMBL23228679 0.79 GPR119 (0.50) ALDH1A1LMNAGPR119NAMPTMEN1
SCHEMBL5373375 0.79 PDK4 (0.52) KDM1ANAMPT
SCHEMBL5373377 0.79 PDK4 (0.52) KDM1ANAMPT

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-7186715-B2 Piperazine- and piperidine-derivatives as melanocortin receptor agonists ELI LILLY AND COMPANY (US) 2007-03-06 US disclosed
EP-1370558-B1 PIPERAZINE- AND PIPERIDINE-DERIVATIVES AS MELANOCORTIN RECEPTOR AGONISTS LILLY CO ELI (US) 2005-08-24 EP disclosed
US-20040082590-A1 Piperazine- and piperidine-derivatives as melanocortin receptor agonists ELI LILLY AND COMPANY 2004-04-29 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-20040082590-A1 Piperazine- and piperidine-derivatives as melanocortin receptor agonists MC1R, MC4R, MC5R KDM1A 1633/4885PDE4B 734/4885ALDH1A1 1078/4885

“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.