SCHEMBL5558994

SCHEMBL5558994

CC(C)C(=O)Nc1ccccc1N1CCNCC1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.66
MAPK1 P28482 1/20 0.66
CASP1 P29466 1/20 0.66
CASP7 P55210 1/20 0.66
HSD17B10 Q99714 1/20 0.66
ALDH1A1 P00352 2/20 0.64
KCNQ2 O43526 6/20 0.58
GAA P10253 1/20 0.52
KCNQ3 O43525 1/20 0.51
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2D6 P10635 1/20 0.51
CYP2C9 P11712 1/20 0.51
KCNE1 P15382 1/20 0.51
KCNQ1 P51787 1/20 0.51
KCNQ4 P56696 1/20 0.51
CHEK1 O14757 2/20 0.51
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
NPSR1 Q6W5P4 2/20 0.50

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
SCHEMBL14356004 0.86 KCNQ2 (0.55) POLBMAPK1CASP1CASP7HSD17B10
SCHEMBL14355832 0.84 HSD17B10 (0.71) POLBMAPK1CASP1CASP7HSD17B10
SCHEMBL7537046 0.84 CHEK1 (0.54) CHEK1NPSR1MAPTL3MBTL1
SCHEMBL18711850 0.83 ALDH1A1 (0.70) POLBMAPK1CASP1CASP7HSD17B10
SCHEMBL19977049 0.82 ALDH1A1 (0.55) POLBMAPK1CASP1CASP7HSD17B10
SCHEMBL14356046 0.82 GAA (0.78) ALDH1A1KCNQ2GAACHEK1MEN1
SCHEMBL1646808 0.82 CHEK1 (0.55) CHEK1
SCHEMBL1646812 0.81 NPSR1 (0.51) GAACHEK1NPSR1MAPTL3MBTL1
SCHEMBL14356002 0.80 CHEK1 (0.54) POLBGAACHEK1NPSR1MAPT
SCHEMBL19976964 0.80 L3MBTL1 (0.58) POLBMAPK1CASP1CASP7HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7291619-B2 Melanocortin receptor agonists ELI LILLY AND COMPANY (US) 2007-11-06 US disclosed
US-7291619-B2 Melanocortin receptor agonists ELI LILLY AND COMPANY (US) 2007-11-06 US disclosed
EP-1603912-B1 SUBSTITUTED PIPERIDINE AND PIPERAZINE DERIVATIVES AS MELANOCORTIN-4 RECEPTOR MODULATORS SANTHERA PHARMACEUTICALS CH (CH) 2007-07-18 EP disclosed
US-20060241123-A1 Substituted piperidine and piperazine derivatives as melanocortin-4 receptor modulators SANTHERA PHARMACEUTICALS (SCHWEIZ) GMBH (CH) 2006-10-26 US disclosed
EP-1603912-A1 SUBSTITUTED PIPERIDINE AND PIPERAZINE DERIVATIVES AS MELANOCORTIN-4 RECEPTOR MODULATORS Santhera Pharmaceuticals (Schweiz) GmbH (CH) 2005-12-14 EP disclosed
WO-2004083209-A1 SUBSTITUTED PIPERIDINE AND PIPERAZINE DERIVATIVES AS MELANOCORTIN-4 RECEPTOR MODULATORS SANTHERA PHARMACEUTICALS (SCHWEIZ) GMBH (CH) 2004-09-30 WO disclosed
EP-1460073-A1 Substituted piperidine and piperazine derivatives as melanocortin-4 receptor modulators MyoContract Ltd. (CH) 2004-09-22 EP 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-20060241123-A1 Substituted piperidine and piperazine derivatives as melanocortin-4 receptor modulators MC4R, MC5R, MC3R POLB 2972/4885MAPK1 2677/4885CASP1 4796/4885

“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.