SCHEMBL5637532

SCHEMBL5637532

O=C(NCCCN1CCCC1)Nc1ccc(-c2nnc(CSCCOc3ccccc3)o2)cc1

nearest known ligand 0.52

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 4/20 0.52
MAPT P10636 1/20 0.52
CHRNA7 P36544 9/20 0.50
KCNH2 Q12809 7/20 0.50
ACHE P22303 1/20 0.47
EPHX2 P34913 1/20 0.45

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
SCHEMBL5638548 0.95 MEN1 (0.50) HTR3AMAPTCHRNA7KCNH2EPHX2
SCHEMBL5639258 0.94 MEN1 (0.52) HTR3AMAPTCHRNA7KCNH2
Oxalic Acid SCHEMBL5638226 0.94 MEN1 (0.48) HTR3AMAPTCHRNA7KCNH2EPHX2
SCHEMBL5639226 0.89 HTR3A (0.55) HTR3AMAPTCHRNA7KCNH2ACHE
SCHEMBL5637839 0.89 KCNH2 (0.49) CHRNA7KCNH2ACHE
SCHEMBL5638832 0.88 HTR3A (0.52) HTR3AMAPTCHRNA7KCNH2ACHE
Oxalic Acid SCHEMBL5637574 0.88 HTR3A (0.53) HTR3AMAPTCHRNA7KCNH2ACHE
Oxalic Acid SCHEMBL5637724 0.87 HTR3A (0.50) HTR3AMAPTCHRNA7KCNH2EPHX2
SCHEMBL5637698 0.86 KCNH2 (0.50) CHRNA7KCNH2ACHE
SCHEMBL5642078 0.84 KMT2A (0.46) MAPTCHRNA7

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-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 claimed
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-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-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 HTR3A 170/4885MAPT 2221/4885CHRNA7 2755/4885

“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.