SCHEMBL5637577

SCHEMBL5637577

O=C(ON(C(=O)NCCCN1CCCC1)c1ccc(-c2nnc(CCCCOc3ccccc3)o2)cc1)C(=O)ON(C(=O)NCCCN1CCCC1)c1ccc(-c2nnc(CCCCOc3ccccc3)o2)cc1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.45
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HRH3 Q9Y5N1 8/20 0.42
KCNH2 Q12809 6/20 0.42
HRH4 Q9H3N8 3/20 0.42
HRH1 P35367 1/20 0.42
CHRNA7 P36544 3/20 0.41
FPR3 P25089 1/20 0.40
FPR2 P25090 1/20 0.40
MEN1 O00255 1/20 0.40
NPC1 O15118 1/20 0.40
PKM P14618 1/20 0.40
RAB9A P51151 1/20 0.40
KMT2A Q03164 1/20 0.40
LIPG Q9Y5X9 1/20 0.40
TLR9 Q9NR96 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
SCHEMBL5638235 0.85 KMT2A (0.38) ACHEKDM4EALDH1A1SMN1; SMN2HRH3
SCHEMBL5639226 0.83 HTR3A (0.55) ACHEHRH3KCNH2CHRNA7
Oxalic Acid SCHEMBL5637574 0.82 HTR3A (0.53) ACHEKDM4EALDH1A1SMN1; SMN2HRH3
SCHEMBL5637729 0.79 HRH3 (0.41) ACHEKDM4EALDH1A1SMN1; SMN2HRH3
SCHEMBL5637839 0.74 KCNH2 (0.49) ACHEKDM4EALDH1A1SMN1; SMN2HRH3
SCHEMBL5637532 0.73 HTR3A (0.52) ACHEKCNH2CHRNA7
SCHEMBL5637698 0.72 KCNH2 (0.50) ACHEKDM4EALDH1A1SMN1; SMN2HRH3
SCHEMBL5640122 0.70 NPC1 (0.56) ALDH1A1SMN1; SMN2MEN1NPC1PKM
SCHEMBL5638764 0.70 FYN (0.47) KDM4EALDH1A1SMN1; SMN2MEN1NPC1
SCHEMBL5638442 0.70 HRH3 (0.56) HRH3KCNH2HRH4HRH1TLR9

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-7229987-B2 Multicyclic compounds for use as melanin concentrating hormone antagonists in the treatment of obesity and diabetes ELI LILLY AND COMPANY (US) 2007-06-12 US disclosed
US-20050272718-A1 Multicyclic compounds for use as melanin concentrating hormone antagonists in the treatment of obesity and diabetes AMMENN ET AL, JOCHEN 2005-12-08 US disclosed
EP-1505968-A1 MULTICYCLIC COMPOUNDS FOR USE AS MELANIN CONCENTRATING HORMONE ANTAGONISTS IN THE TREATMENT OF OBESITY AND DIABETES ELI LILLY AND COMPANY (US) 2005-02-16 EP disclosed
WO-2003097047-A1 MULTICYCLIC COMPOUNDS FOR USE AS MELANIN CONCENTRATING HORMONE ANTAGONISTS IN THE TREATMENT OF OBESITY AND DIABETES ELI LILLY AND COMPANY (US) 2003-11-27 WO 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-20050272718-A1 Multicyclic compounds for use as melanin concentrating hormone antagonists in the treatment of obesity and diabetes MC1R, MC4R, MC5R ACHE 2049/4885KDM4E 2751/4885ALDH1A1 716/4885

“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.