SCHEMBL5640190

SCHEMBL5640190

CN(C)CCCOc1ccc(-c2csc(C=O)c2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LSS P48449 1/20 0.56
KDM4E B2RXH2 3/20 0.49
ALDH1A1 P00352 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
HRH3 Q9Y5N1 4/20 0.47
CXCR1 P25024 2/20 0.45
FLT1 P17948 1/20 0.43
FLT4 P35916 1/20 0.43
KDR P35968 1/20 0.43
CHEK1 O14757 1/20 0.43
MAPK14 Q16539 1/20 0.42
DRD2 P14416 1/20 0.42
DRD3 P35462 1/20 0.42
DNM1 Q05193 1/20 0.42
APP P05067 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 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
SCHEMBL2491193 0.82 RARB (0.52) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL5641512 0.78 LSS (0.56) LSSKDM4EALDH1A1SMN1; SMN2HRH3
SCHEMBL272824 0.75 ALDH1A1 (0.62) LSSKDM4EALDH1A1SMN1; SMN2HRH3
SCHEMBL6451713 0.75 MAPT (0.51) ALDH1A1SMN1; SMN2APP
SCHEMBL9671156 0.73 KDM4E (0.83) LSSKDM4EALDH1A1SMN1; SMN2HRH3
Hydrochloric Acid SCHEMBL5693237 0.73 ALDH1A1 (0.61) LSSKDM4EALDH1A1SMN1; SMN2HRH3
SCHEMBL10679594 0.73 LSS (1.00) LSSKDM4EALDH1A1SMN1; SMN2HRH3
SCHEMBL14499757 0.71 LSS (0.56) LSSKDM4EALDH1A1SMN1; SMN2HRH3
SCHEMBL3074699 0.71 ALDH1A1 (0.57) LSSKDM4EALDH1A1SMN1; SMN2HRH3
SCHEMBL5638000 0.70 LSS (0.52) LSSKDM4EALDH1A1SMN1; SMN2HRH3

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 LSS 420/4885KDM4E 2751/4885ALDH1A1 716/4885

“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.