SCHEMBL5637779

SCHEMBL5637779

CN(C)CCCCOc1ccc(-c2nnc(CSCCOc3ccccc3)o2)cc1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TP53 P04637 3/20 0.52
MAPT P10636 3/20 0.52
LSS P48449 1/20 0.49
ALDH1A1 P00352 5/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
NPC1 O15118 3/20 0.47
RAB9A P51151 3/20 0.47
POLB P06746 2/20 0.47
PTPN1 P18031 1/20 0.45
KDM4E B2RXH2 3/20 0.44
HPGD P15428 2/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
CXCR1 P25024 1/20 0.43
TSHR P16473 2/20 0.42
GAA P10253 1/20 0.42
LMNA P02545 1/20 0.42
HSD17B10 Q99714 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
SCHEMBL5636941 0.99 TP53 (0.51) TP53MAPTLSSALDH1A1SMN1; SMN2
SCHEMBL5638644 0.99 TP53 (0.51) TP53MAPTLSSALDH1A1SMN1; SMN2
SCHEMBL5636953 0.99 TP53 (0.51) TP53MAPTLSSALDH1A1SMN1; SMN2
SCHEMBL5640083 0.97 LSS (0.53) TP53MAPTLSSALDH1A1SMN1; SMN2
SCHEMBL5638016 0.94 LSS (0.52) TP53MAPTLSSALDH1A1SMN1; SMN2
SCHEMBL5638806 0.93 TP53 (0.54) TP53MAPTLSSALDH1A1SMN1; SMN2
SCHEMBL5638705 0.92 LSS (0.53) TP53MAPTLSSALDH1A1SMN1; SMN2
SCHEMBL5639862 0.91 MAPT (0.47) TP53MAPTLSSALDH1A1SMN1; SMN2
SCHEMBL5639273 0.89 MAPT (0.50) TP53MAPTALDH1A1SMN1; SMN2NPC1
SCHEMBL5640404 0.89 TP53 (0.49) TP53MAPTALDH1A1SMN1; SMN2NPC1

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 9 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
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 claimed
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 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 TP53 4306/4885MAPT 2221/4885LSS 420/4885

“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.