SCHEMBL5637982

SCHEMBL5637982

O=C(NCCN1CCCC1)Nc1ccc(-c2cnc(CSCCOc3ccccc3)o2)cc1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.49
POLB P06746 1/20 0.49
KMT2A Q03164 1/20 0.49
HTR3A P46098 2/20 0.46
AURKA O14965 2/20 0.46
CHRNA7 P36544 2/20 0.44
CNR1 P21554 1/20 0.44
MAPT P10636 1/20 0.44
NPC1 O15118 1/20 0.42
CLK1 P49759 1/20 0.42
RAB9A P51151 1/20 0.42
GFER P55789 1/20 0.42
EPHX2 P34913 1/20 0.42
HRH3 Q9Y5N1 3/20 0.41
PIK3CA P42336 1/20 0.41
MTOR P42345 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
SCHEMBL5637399 0.99 MEN1 (0.51) MEN1POLBKMT2AHTR3AAURKA
SCHEMBL5638832 0.95 HTR3A (0.52) MEN1POLBKMT2AHTR3AAURKA
Oxalic Acid SCHEMBL5637724 0.94 HTR3A (0.50) HTR3AAURKACHRNA7MAPTEPHX2
SCHEMBL5638790 0.92 NPC1 (0.44) HTR3AAURKACHRNA7NPC1CLK1
SCHEMBL5637914 0.91 NPC1 (0.43) MEN1POLBKMT2AHTR3AAURKA
Oxalic Acid SCHEMBL5641902 0.90 NPC1 (0.42) HTR3AAURKANPC1CLK1RAB9A
SCHEMBL5638548 0.88 MEN1 (0.50) MEN1POLBKMT2AHTR3AAURKA
SCHEMBL5639258 0.87 MEN1 (0.52) MEN1POLBKMT2AHTR3AAURKA
Oxalic Acid SCHEMBL5638226 0.86 MEN1 (0.48) MEN1POLBKMT2AHTR3AAURKA
SCHEMBL5638739 0.84 NPC1 (0.46) MEN1POLBKMT2AAURKAMAPT

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 8 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 claimed
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 494/4885POLB 3974/4885KMT2A 2662/4885

“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.