SCHEMBL5636136

SCHEMBL5636136

COC(=O)c1ccccc1-c1nnn[nH]1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 5/20 0.49
SLC6A4 P31645 3/20 0.49
SLC6A2 P23975 1/20 0.49
LMNA P02545 2/20 0.45
TSHR P16473 2/20 0.45
ALDH1A1 P00352 2/20 0.44
CFTR P13569 1/20 0.44
HSD17B10 Q99714 1/20 0.44
KDM4E B2RXH2 2/20 0.43
POLB P06746 1/20 0.42
ATM Q13315 1/20 0.42
KMT2A Q03164 3/20 0.41
MAPT P10636 3/20 0.41
MEN1 O00255 2/20 0.41
HTT P42858 1/20 0.41
MAPK10 P53779 1/20 0.41
PTK2B Q14289 1/20 0.41
NCOA1 Q15788 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NPSR1 Q6W5P4 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
SCHEMBL3598559 0.84 SLC6A3 (0.42) SLC6A3SLC6A4SLC6A2LMNATSHR
SCHEMBL11647516 0.83 CSNK1A1 (0.40) LMNAALDH1A1KDM4EPOLBKMT2A
SCHEMBL4164810 0.81 KDM4E (0.50) LMNATSHRALDH1A1HSD17B10KDM4E
SCHEMBL11985513 0.80 CSNK1A1 (0.35) ALDH1A1HSD17B10KDM4EPOLBKMT2A
SCHEMBL2650295 0.80 CSNK1A1 (0.54) TSHRALDH1A1HSD17B10KDM4EMAPT
SCHEMBL5469109 0.77 ALDH1A1 (0.40) LMNATSHRALDH1A1CFTRHSD17B10
SCHEMBL69464 0.76 SLC6A3 (0.67) SLC6A3SLC6A4SLC6A2LMNATSHR
SCHEMBL7662645 0.74 ALDH1A1 (0.50) SLC6A3SLC6A2LMNATSHRALDH1A1
SCHEMBL12615990 0.74 ALDH1A1 (0.38) ALDH1A1KMT2AMEN1
SCHEMBL19303022 0.74 ADAM17 (0.41) LMNATSHRALDH1A1HSD17B10KDM4E

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 6 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-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 SLC6A3 38/4885SLC6A4 113/4885SLC6A2 49/4885

“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.