SCHEMBL5370545

SCHEMBL5370545

CC(=O)NC(C)COc1ccccc1Br

nearest known ligand 0.63

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 9/20 0.63
MTNR1B P49286 9/20 0.63
ACACB O00763 1/20 0.49
ACACA Q13085 1/20 0.49
MEN1 O00255 4/20 0.48
KMT2A Q03164 4/20 0.48
GAA P10253 1/20 0.48
ATM Q13315 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
SSTR4 P31391 1/20 0.44
KDM4E B2RXH2 1/20 0.44
HPGD P15428 1/20 0.44
HSD17B10 Q99714 1/20 0.44

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
SCHEMBL5370551 1.00 MTNR1A (0.63) MTNR1AMTNR1BACACBACACAMEN1
SCHEMBL7383196 0.88 MTNR1A (0.51) MTNR1AMTNR1BMEN1KMT2AGAA
SCHEMBL7383193 0.88 MTNR1A (0.51) MTNR1AMTNR1BMEN1KMT2AGAA
SCHEMBL6176229 0.82 AAK1 (0.48) MTNR1AMTNR1BMEN1KMT2AGAA
SCHEMBL6176223 0.82 AAK1 (0.48) MTNR1AMTNR1BMEN1KMT2AGAA
SCHEMBL5430975 0.77 KMT2A (0.39) MTNR1AMTNR1BMEN1KMT2AGAA
SCHEMBL5371265 0.76 KMT2A (0.48) MEN1KMT2AGAAATMSMN1; SMN2
SCHEMBL5371269 0.76 KMT2A (0.48) MEN1KMT2AGAAATMSMN1; SMN2
SCHEMBL1496589 0.75 KMT2A (0.60) MEN1KMT2AGAAATMSMN1; SMN2
SCHEMBL29671577 0.75 KMT2A (0.59) MEN1KMT2AGAAATMSMN1; SMN2

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 MTNR1A 44/4885MTNR1B 58/4885ACACB 3504/4885

“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.