SCHEMBL5638548

SCHEMBL5638548

O=C(NCCN1CCCC1)Nc1ccc(-c2nnc(CSCCOc3ccccc3)o2)cc1

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
POLB P06746 1/20 0.50
HTR3A P46098 2/20 0.47
CHRNA7 P36544 6/20 0.46
KCNH2 Q12809 5/20 0.46
CNR1 P21554 1/20 0.45
MAPT P10636 1/20 0.44
AURKA O14965 2/20 0.43
EPHX2 P34913 1/20 0.42
HRH3 Q9Y5N1 1/20 0.42

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
SCHEMBL5639258 0.99 MEN1 (0.52) MEN1KMT2APOLBHTR3ACHRNA7
Oxalic Acid SCHEMBL5638226 0.98 MEN1 (0.48) MEN1KMT2APOLBHTR3ACHRNA7
SCHEMBL5637532 0.95 HTR3A (0.52) HTR3ACHRNA7KCNH2MAPTEPHX2
SCHEMBL5640772 0.88 GLA (0.48) MEN1KMT2APOLBCHRNA7KCNH2
SCHEMBL5637982 0.88 MEN1 (0.49) MEN1KMT2APOLBHTR3ACHRNA7
SCHEMBL5637706 0.87 GLA (0.47) MEN1KMT2APOLBCHRNA7KCNH2
SCHEMBL5637399 0.87 MEN1 (0.51) MEN1KMT2APOLBHTR3ACHRNA7
SCHEMBL5639257 0.86 KMT2A (0.46) MEN1KMT2APOLBHRH3
SCHEMBL14499602 0.84 KMT2A (0.48) MEN1KMT2APOLBMAPT
SCHEMBL5639226 0.84 HTR3A (0.55) HTR3ACHRNA7KCNH2MAPTHRH3

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 MEN1 494/4885KMT2A 2662/4885POLB 3974/4885

“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.