SCHEMBL5638993

SCHEMBL5638993

CCOC(=O)c1cccc(-c2nnc(CSCCOc3ccccc3)o2)c1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 7/20 0.57
NPC1 O15118 5/20 0.57
RAB9A P51151 5/20 0.57
ALDH1A1 P00352 5/20 0.57
MAPT P10636 3/20 0.57
KDM4E B2RXH2 2/20 0.50
POLB P06746 3/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
TSHR P16473 2/20 0.47
HSD17B10 Q99714 2/20 0.47
MAPK1 P28482 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
HPGD P15428 2/20 0.46
TP53 P04637 4/20 0.45

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
SCHEMBL5641142 0.88 SMN1; SMN2 (0.52) SMN1; SMN2NPC1RAB9AALDH1A1MAPT
SCHEMBL5642095 0.86 SMN1; SMN2 (0.45) SMN1; SMN2NPC1RAB9AALDH1A1MAPT
SCHEMBL5863076 0.82 MEN1 (0.52) SMN1; SMN2NPC1RAB9AALDH1A1MAPT
SCHEMBL5863113 0.81 MEN1 (0.51) SMN1; SMN2NPC1RAB9AALDH1A1MAPT
SCHEMBL5636800 0.80 FYN (0.47) SMN1; SMN2NPC1RAB9AALDH1A1MEN1
SCHEMBL5863066 0.80 MEN1 (0.50) SMN1; SMN2NPC1RAB9AALDH1A1MAPT
SCHEMBL5639079 0.79 MAPT (0.53) SMN1; SMN2NPC1RAB9AALDH1A1MAPT
SCHEMBL5640405 0.79 MEN1 (0.52) SMN1; SMN2NPC1RAB9AALDH1A1MAPT
SCHEMBL5639311 0.79 FYN (0.47) SMN1; SMN2ALDH1A1POLBMEN1KMT2A
SCHEMBL5638694 0.78 NPC1 (0.53) SMN1; SMN2NPC1RAB9AALDH1A1MAPT

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 SMN1; SMN2 4137/4885NPC1 457/4885RAB9A 1063/4885

“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.