SCHEMBL5639657

SCHEMBL5639657

CN(C)CCCNC(=O)c1ccc(-c2nnc(CSCCOc3ccccc3)o2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FYN P06241 1/20 0.46
LIPG Q9Y5X9 1/20 0.45
MAPT P10636 2/20 0.43
TP53 P04637 1/20 0.43
ROCK2 O75116 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
ROCK1 Q13464 1/20 0.43
NPC1 O15118 4/20 0.43
RAB9A P51151 4/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
CACNA1H O95180 1/20 0.42
CACNA1B Q00975 1/20 0.42
KDM4E B2RXH2 1/20 0.42
TET3 O43151 1/20 0.42
TET2 Q6N021 1/20 0.42
TET1 Q8NFU7 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
HPGD P15428 2/20 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
SCHEMBL5638433 0.97 LIPG (0.47) FYNLIPGMAPTTP53ROCK2
SCHEMBL5637865 0.97 LIPG (0.48) FYNLIPGMAPTTP53ROCK2
SCHEMBL5639299 0.97 LIPG (0.48) FYNLIPGMAPTTP53ROCK2
SCHEMBL5639884 0.96 FYN (0.46) FYNLIPGMAPTTP53ROCK2
SCHEMBL5637952 0.96 LIPG (0.47) FYNLIPGMAPTTP53ROCK2
SCHEMBL5641530 0.95 ALDH1A1 (0.47) FYNLIPGMAPTTP53ROCK2
SCHEMBL5638397 0.92 MAPT (0.44) FYNLIPGMAPTTP53NPC1
SCHEMBL5639311 0.91 FYN (0.47) FYNLIPGSMN1; SMN2L3MBTL1HPGD
SCHEMBL5641114 0.89 LIPG (0.42) LIPGMAPTTP53NPC1RAB9A
SCHEMBL5639098 0.89 FYN (0.45) FYNLIPGMAPTROCK2CYP3A4

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 FYN 3183/4885LIPG 784/4885MAPT 2221/4885

“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.