SCHEMBL5423637

SCHEMBL5423637

CCOC(=O)N1CCCc2cc(C(=O)CCN(C)C)ccc21

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK1 Q15118 5/20 0.49
PDK2 Q15119 5/20 0.49
PDK3 Q15120 5/20 0.49
PDK4 Q16654 5/20 0.49
ALDH1A1 P00352 5/20 0.49
MAPT P10636 3/20 0.49
HSD17B10 Q99714 2/20 0.49
KDM4E B2RXH2 2/20 0.49
HPGD P15428 2/20 0.45
LMNA P02545 2/20 0.45
NPSR1 Q6W5P4 2/20 0.45
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
RECQL P46063 1/20 0.42
TSHR P16473 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
THRA P10827 3/20 0.42
THRB P10828 2/20 0.42
TP53 P04637 1/20 0.41

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
SCHEMBL5423338 0.86 KDM4E (0.51) PDK1PDK2PDK3PDK4ALDH1A1
SCHEMBL14500666 0.84 ALDH1A1 (0.49) PDK1PDK2PDK3PDK4ALDH1A1
SCHEMBL14500331 0.81 KDM4E (0.50) PDK1PDK2PDK3PDK4ALDH1A1
Hydrochloric Acid SCHEMBL5419258 0.80 KDM4E (0.49) PDK1PDK2PDK3PDK4ALDH1A1
SCHEMBL5419204 0.79 ALDH1A1 (0.62) ALDH1A1MAPTHSD17B10KDM4EHPGD
SCHEMBL7486918 0.76 ALDH1A1 (0.60) ALDH1A1MAPTHSD17B10KDM4EHPGD
SCHEMBL8809305 0.76 KDM4E (0.58) PDK1PDK2PDK3PDK4ALDH1A1
SCHEMBL7485064 0.74 ALDH1A1 (0.61) ALDH1A1MAPTHSD17B10KDM4EHPGD
SCHEMBL7488125 0.74 TP53 (0.44) ALDH1A1MAPTHSD17B10KDM4EHPGD
SCHEMBL15968765 0.74 CTNNB1 (0.57) ALDH1A1MAPTHPGDKMT2AL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7229986-B2 Melanin-concentrating hormone antagonist TAKEDA PHARMACEUTICAL COMPANY LTD. (JP) 2007-06-12 US disclosed
US-7229986-B2 Melanin-concentrating hormone antagonist TAKEDA PHARMACEUTICAL COMPANY LTD. (JP) 2007-06-12 US disclosed
US-20030158177-A1 Treating or preventing obesity TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2003-08-21 US disclosed
EP-1283199-A1 MELANIN-CONCENTRATING HORMONE ANTAGONIST Takeda Chemical Industries, Ltd. (JP) 2003-02-12 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-20030158177-A1 Treating or preventing obesity MCHR1, MC1R, NPY1R PDK1 2915/4885PDK2 1833/4885PDK3 2194/4885

“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.