SCHEMBL5637563

SCHEMBL5637563

COC(=O)c1ccc(OCCCN(C)C)c(Cl)c1

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
THRA P10827 2/20 0.59
THRB P10828 2/20 0.59
KDM4E B2RXH2 3/20 0.56
ALDH1A1 P00352 3/20 0.56
LMNA P02545 1/20 0.56
TDP1 Q9NUW8 1/20 0.56
KDR P35968 2/20 0.52
GAA P10253 1/20 0.51
MAPT P10636 2/20 0.49
SMN1; SMN2 Q16637 3/20 0.47
KMT2A Q03164 2/20 0.47
HPGD P15428 1/20 0.47
MEN1 O00255 1/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
S1PR4 O95977 1/20 0.45
MRGPRX4 Q96LA9 2/20 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
SCHEMBL10543265 0.87 S1PR4 (0.56) THRATHRBALDH1A1LMNATDP1
SCHEMBL5638273 0.85 THRA (0.58) THRATHRBKDM4EALDH1A1LMNA
SCHEMBL5637060 0.85 THRA (0.60) THRATHRBMAPTSMN1; SMN2KMT2A
SCHEMBL19816401 0.85 MAPT (0.52) THRATHRBKDM4ELMNATDP1
SCHEMBL14930507 0.85 THRA (0.56) THRATHRBKDM4EALDH1A1TDP1
SCHEMBL5638975 0.84 THRA (0.59) THRATHRBKDM4EALDH1A1LMNA
SCHEMBL14926450 0.83 THRA (0.62) THRATHRBALDH1A1MAPTSMN1; SMN2
SCHEMBL4827025 0.83 MAPT (0.50) THRATHRBKDM4EALDH1A1LMNA
SCHEMBL13125206 0.83 MAPT (0.53) KDM4EALDH1A1LMNATDP1GAA
SCHEMBL401811 0.83 CSNK2A1 (0.51) THRATHRBALDH1A1LMNATDP1

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 THRA 217/4885THRB 150/4885KDM4E 2751/4885

“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.