SCHEMBL5417050

SCHEMBL5417050

CC(=O)N1CCCCc2ccc(C(=O)CCN(C)C)cc21

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.47
HPGD P15428 2/20 0.47
KDM4E B2RXH2 1/20 0.47
RECQL P46063 1/20 0.47
NOTUM Q6P988 2/20 0.46
TSHR P16473 2/20 0.45
MAPT P10636 1/20 0.45
TP53 P04637 3/20 0.44
LMNA P02545 2/20 0.43
ACHE P22303 4/20 0.43
AVPR2 P30518 1/20 0.43
AVPR1A P37288 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
CTNNB1 P35222 1/20 0.41
WNT3A P56704 1/20 0.41
TDP1 Q9NUW8 1/20 0.40

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
SCHEMBL5418837 0.85 ALDH1A1 (0.49) ALDH1A1HPGDKDM4ERECQLNOTUM
SCHEMBL5419204 0.81 ALDH1A1 (0.62) ALDH1A1HPGDKDM4ERECQLNOTUM
SCHEMBL9206324 0.81 ACHE (0.58) ACHE
SCHEMBL8792645 0.81 NOTUM (0.56) ALDH1A1HPGDKDM4ERECQLNOTUM
SCHEMBL10856983 0.80 NOTUM (0.56) ALDH1A1HPGDKDM4ERECQLNOTUM
SCHEMBL15968765 0.79 CTNNB1 (0.57) ALDH1A1HPGDMAPTL3MBTL1CTNNB1
SCHEMBL9206779 0.77 ACHE (0.57) NOTUMACHE
SCHEMBL8790990 0.77 TP53 (0.52) ALDH1A1HPGDKDM4ERECQLNOTUM
SCHEMBL3082421 0.76 NOTUM (0.62) ALDH1A1KDM4ENOTUMTSHRMAPT
SCHEMBL5415276 0.74 NOTUM (0.46) ALDH1A1HPGDNOTUMTSHRTP53

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 ALDH1A1 1907/4885HPGD 724/4885KDM4E 2587/4885

“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.