SCHEMBL5374340

SCHEMBL5374340

CC(COc1ccccc1N1CCN(C(=O)OC(C)(C)C)CC1)N1CCCCC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.48
ABCB1 P08183 1/20 0.47
TSHR P16473 2/20 0.45
TP53 P04637 1/20 0.44
PKM P14618 1/20 0.44
CKS1B P61024 2/20 0.43
SKP1 P63208 2/20 0.43
SKP2 Q13309 2/20 0.43
DRD2 P14416 1/20 0.43
LMNA P02545 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
ALDH1A1 P00352 2/20 0.43
MEN1 O00255 1/20 0.43
POLB P06746 1/20 0.43
KMT2A Q03164 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
HTR1A P08908 1/20 0.42
HTR1D P28221 1/20 0.42
HTR2B P41595 1/20 0.42
KDM4E B2RXH2 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
SCHEMBL14570822 1.00 L3MBTL1 (0.48) L3MBTL1ABCB1TSHRTP53PKM
SCHEMBL5338019 0.87 L3MBTL1 (0.57) L3MBTL1ABCB1TSHRTP53CKS1B
SCHEMBL5382307 0.84 L3MBTL1 (0.52) L3MBTL1ABCB1TSHRTP53CKS1B
SCHEMBL5371729 0.82 L3MBTL1 (0.52) L3MBTL1ABCB1TSHRTP53CKS1B
SCHEMBL14559978 0.81 DRD2 (0.56) L3MBTL1DRD2ALDH1A1MEN1POLB
SCHEMBL14570987 0.79 L3MBTL1 (0.47) L3MBTL1ABCB1PKMCKS1BSKP1
SCHEMBL5374555 0.79 L3MBTL1 (0.47) L3MBTL1ABCB1PKMCKS1BSKP1
SCHEMBL5378527 0.79 CYP1A2 (0.52) DRD2SMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL246627 0.79 TSHR (0.63) TSHRTP53PKMDRD2LMNA
SCHEMBL3404794 0.79 L3MBTL1 (0.59) L3MBTL1TSHRCKS1BSKP1SKP2

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 L3MBTL1 4593/4885ABCB1 3389/4885TSHR 179/4885

“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.